CompoundList
Sign in
Screening compounds

Orb3236957

CAS 2641839-07-6Formula C26H25ClF2N2O2Molar mass 470.95 g/mol
Get quotes Safety data
Orb3236957 chemical structure, C26H25ClF2N2O2, CAS 2641839-07-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2641839-07-6
Formula
C26H25ClF2N2O2
Molar mass
470.95 g/mol
HS code
293399
Category
Screening compounds

What is Orb3236957?

Plain description, key identifiers and synonyms

Orb3236957 is a chemical substance with the molecular formula C26H25ClF2N2O2 and a molar mass of 470.95 g/mol. Its CAS registry number is 2641839-07-6. The IUPAC name is (E)-3-[4-[(1R,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-[4-[(1R,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid, hydrochloride
CAS number
2641839-07-6
Molecular formula
C26H25ClF2N2O2
InChIKey
QRTUELBCJFQZQU-MGARMNAFSA-N
InChI
InChI=1S/C26H24F2N2O2.ClH/c1-14-8-18-17-4-2-3-5-21(17)29-24(18)25(30(14)26-11-16(12-26)13-26)23-19(27)9-15(10-20(23)28)6-7-22(31)32;/h2-7,9-10,14,16,25,29H,8,11-13H2,1H3,(H,31,32);1H/b7-6+;/t14-,16?,25-,26?;/m1./s1
Canonical SMILES
CC1Cc2c([nH]c3ccccc23)C(c2c(F)cc(C=CC(=O)O)cc2F)N1C12CC(C1)C2.Cl
Isomeric SMILES
C[C@@H]1CC2=C([C@H](N1C34CC(C3)C4)C5=C(C=C(C=C5F)/C=C/C(=O)O)F)NC6=CC=CC=C26.Cl

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
470.95 g/molcalc.
Exact mass
470.1573 Dacalc.
LogP (octanol/water)
5.85calc.
Topological polar surface area
56.33 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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, c1ccc(C2c3[nH]c4ccccc4c3CCN2C23CC(C2)C3)cc1

c1ccc(C2c3[nH]c4ccccc4c3CCN2C23CC(C2)C3)cc1

7 rings, 24 atoms.

1 other chemical 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.

Orb3236957 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 Orb3236957 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb3236957 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 Orb3236957 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3236957 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3236957, based on the data on this page

What is Orb3236957?

Orb3236957 is a chemical substance with the molecular formula C26H25ClF2N2O2 and a molar mass of 470.95 g/mol. Its CAS registry number is 2641839-07-6.

What is the CAS number of Orb3236957?

The CAS registry number of Orb3236957 is 2641839-07-6.

What is the molecular formula and weight of Orb3236957?

The molecular formula of Orb3236957 is C26H25ClF2N2O2 and its molar mass is 470.95 g/mol.

What is Orb3236957 used for?

Known uses and roles of Orb3236957 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3236957 hazardous?

No GHS hazard classification for Orb3236957 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 Orb3236957?

Orb3236957 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3236957?

Post a free request on CompoundList and suppliers of Orb3236957 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3236957?

Suppliers quote Orb3236957 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 Orb3236957

Get quotes for Orb3236957

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb3236957
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 Orb3236957 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/orb3236957-2641839-07-6" title="Orb3236957 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 293399

Price on request
Free quotes, contact stays private
Get quotes