CompoundList
Sign in
Screening compounds

Ctk8F6945

Also known as 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-N-butanoyl-2'-deoxycytidine

CAS 100898-62-2Formula C34H37N3O7Molar mass 599.68 g/molEC 631-174-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard
Get quotes Safety data
Ctk8F6945 chemical structure, C34H37N3O7, CAS 100898-62-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
100898-62-2
Formula
C34H37N3O7
Molar mass
599.68 g/mol
EC number
631-174-1
HS code
293499
Category
Screening compounds

What is Ctk8F6945?

Plain description, key identifiers and synonyms

Ctk8F6945 is a chemical substance with the molecular formula C34H37N3O7 and a molar mass of 599.68 g/mol. Its CAS registry number is 100898-62-2. The IUPAC name is N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide
CAS number
100898-62-2 CAS number cross-checked
EC number
631-174-1
Molecular formula
C34H37N3O7
InChIKey
JAHWXECJHMFQQG-NPLMNSEMSA-N
InChI
InChI=1S/C34H37N3O7/c1-4-8-31(39)35-30-19-20-37(33(40)36-30)32-21-28(38)29(44-32)22-43-34(23-9-6-5-7-10-23,24-11-15-26(41-2)16-12-24)25-13-17-27(42-3)18-14-25/h5-7,9-20,28-29,32,38H,4,8,21-22H2,1-3H3,(H,35,36,39,40)/t28-,29+,32+/m0/s1
Canonical SMILES
CCCC(=O)Nc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)n1
Isomeric SMILES
CCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O

Synonyms

  • 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-N-butanoyl-2'-deoxycytidine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
599.68 g/molcalc.
Exact mass
599.2632 Dacalc.
LogP (octanol/water)
4.66calc.
Topological polar surface area
121.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
12calc.
Heavy atoms
44calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1ncccn1C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1

O=c1ncccn1C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1

5 rings, 33 atoms.

142 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H351Suspected of causing cancer.
Precautionary statements (24)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ctk8F6945 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Ctk8F6945 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Ctk8F6945 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ctk8F6945 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ctk8F6945 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ctk8F6945, based on the data on this page

What is Ctk8F6945?

Ctk8F6945 is a chemical substance with the molecular formula C34H37N3O7 and a molar mass of 599.68 g/mol. Its CAS registry number is 100898-62-2. The IUPAC name is N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide.

What is the CAS number of Ctk8F6945?

The CAS registry number of Ctk8F6945 is 100898-62-2.

What is the molecular formula and weight of Ctk8F6945?

The molecular formula of Ctk8F6945 is C34H37N3O7 and its molar mass is 599.68 g/mol.

What is Ctk8F6945 used for?

Known uses and roles of Ctk8F6945 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ctk8F6945 hazardous?

Ctk8F6945 carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ctk8F6945?

Ctk8F6945 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ctk8F6945?

Post a free request on CompoundList and suppliers of Ctk8F6945 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ctk8F6945?

Suppliers quote Ctk8F6945 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ctk8F6945

Get quotes for Ctk8F6945

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Ctk8F6945
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Ctk8F6945 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/ctk8f6945-100898-62-2" title="Ctk8F6945 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes