(2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid
TL;DR: (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid (CAS 42468-66-6) is a chemical compound with molecular formula C12H7ClO4 and molecular weight 250.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-chloro-4-oxochromen-3-yl)prop-2-enoic acid
Also Known As: (2E)-3-(6-CHLORO-4-OXO-4H-CHROMEN-3-YL)ACRYLIC ACID, RARECHEM AL BK 0740, CHEMBRDG-BB6499871, KST-1A4798, (2e)-3-(6-chloro-4-oxo-4h-chromen-3-yl)prop-2-enoic acid
| Molecular Formula | C12H7ClO4 |
|---|---|
| Molecular Weight | 250.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.00328 |
| Heavy Atoms | 17 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 42468-66-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C(=CO2)/C=C/C(=O)O |
| InChIKey | NCCZLKPUVIPKBT-DAFODLJHSA-N |
Product Overview
(2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid (CAS 42468-66-6), with molecular formula C12H7ClO4 and molecular weight 250.00 g/mol. IUPAC: (E)-3-(6-chloro-4-oxochromen-3-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid
Property Insights of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid. Following Lipinski's Rule of Five, (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid?
The CAS number of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid is 42468-66-6.
What is the molecular formula of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid?
The molecular formula of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid is C12H7ClO4.
What is the molecular weight of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid?
The molecular weight of (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid is 250.00 g/mol.
Where can I buy (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid?
You can request a quote for (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(6-Chloro-4-oxo-4H-chromen-3-YL)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.