CompoundList
Sign in
Heterocyclic building blocks

Orb3237680

CAS 1377950-52-1Formula C43H54N5O8PMolar mass 799.91 g/mol
Get quotes Safety data
Orb3237680 chemical structure, C43H54N5O8P, CAS 1377950-52-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1377950-52-1
Formula
C43H54N5O8P
Molar mass
799.91 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Orb3237680?

Plain description, key identifiers and synonyms

Orb3237680 is a chemical substance with the molecular formula C43H54N5O8P and a molar mass of 799.91 g/mol. Its CAS registry number is 1377950-52-1. The IUPAC name is N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-N-ethylacetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-N-ethylacetamide
CAS number
1377950-52-1
Molecular formula
C43H54N5O8P
InChIKey
NQCJAMGXEATERZ-HJECRTKSSA-N
InChI
InChI=1S/C43H54N5O8P/c1-9-46(32(6)49)40-24-26-47(42(50)45-40)41-28-38(56-57(54-27-13-25-44)48(30(2)3)31(4)5)39(55-41)29-53-43(33-14-11-10-12-15-33,34-16-20-36(51-7)21-17-34)35-18-22-37(52-8)23-19-35/h10-12,14-24,26,30-31,38-39,41H,9,13,27-29H2,1-8H3/t38-,39+,41+,57?/m0/s1
Canonical SMILES
CCN(C(C)=O)c1ccn(C2CC(OP(OCCC#N)N(C(C)C)C(C)C)C(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)n1
Isomeric SMILES
CCN(C1=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)OP(N(C(C)C)C(C)C)OCCC#N)C(=O)C

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
799.91 g/molcalc.
Exact mass
799.371 Dacalc.
LogP (octanol/water)
7.59calc.
Topological polar surface area
137.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
19calc.
Heavy atoms
57calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (3 violations)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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Orb3237680 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 Orb3237680 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb3237680 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 Orb3237680 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 Orb3237680 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3237680, based on the data on this page

What is Orb3237680?

Orb3237680 is a chemical substance with the molecular formula C43H54N5O8P and a molar mass of 799.91 g/mol. Its CAS registry number is 1377950-52-1.

What is the CAS number of Orb3237680?

The CAS registry number of Orb3237680 is 1377950-52-1.

What is the molecular formula and weight of Orb3237680?

The molecular formula of Orb3237680 is C43H54N5O8P and its molar mass is 799.91 g/mol.

What is Orb3237680 used for?

Known uses and roles of Orb3237680 include building blocks in research and laboratory.

Is Orb3237680 hazardous?

No GHS hazard classification for Orb3237680 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb3237680?

Orb3237680 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 Orb3237680?

Post a free request on CompoundList and suppliers of Orb3237680 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3237680?

Suppliers quote Orb3237680 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 Orb3237680

Get quotes for Orb3237680

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb3237680
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 Orb3237680 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/orb3237680-1377950-52-1" title="Orb3237680 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 Heterocyclic building blocks or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes