Coumarin, 6-chloro-3-(4-pyridyl)-
TL;DR: Coumarin, 6-chloro-3-(4-pyridyl)- (CAS 840-32-4) is a chemical compound with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-pyridin-4-ylchromen-2-one
Also Known As: 6-Chloro-3-(4-pyridyl)coumarin, 6-chloro-3-pyridin-4-ylchromen-2-one, COUMARIN, 6-CHLORO-3-(4-PYRIDYL)-, 6-Chlor-3-<4-pyridyl>-cumarin, 6-chloro-3-(pyridin-4-yl)-2H-chromen-2-one
| Molecular Formula | C14H8ClNO2 |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.02435 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 840-32-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C3=CC=NC=C3 |
| InChIKey | JRWFNWPQMYOVSQ-UHFFFAOYSA-N |
Product Overview
Coumarin, 6-chloro-3-(4-pyridyl)- (CAS 840-32-4), with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol. IUPAC: 6-chloro-3-pyridin-4-ylchromen-2-one.
Chemical Property Profile of Coumarin, 6-chloro-3-(4-pyridyl)-
Property Insights of Coumarin, 6-chloro-3-(4-pyridyl)-
The XLogP value of 3.1 indicates that Coumarin, 6-chloro-3-(4-pyridyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Coumarin, 6-chloro-3-(4-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 6-chloro-3-(4-pyridyl)- has 0 hydrogen bond donor(s) and 3 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 Coumarin, 6-chloro-3-(4-pyridyl)-?
The CAS number of Coumarin, 6-chloro-3-(4-pyridyl)- is 840-32-4.
What is the molecular formula of Coumarin, 6-chloro-3-(4-pyridyl)-?
The molecular formula of Coumarin, 6-chloro-3-(4-pyridyl)- is C14H8ClNO2.
What is the molecular weight of Coumarin, 6-chloro-3-(4-pyridyl)-?
The molecular weight of Coumarin, 6-chloro-3-(4-pyridyl)- is 257.02 g/mol.
Where can I buy Coumarin, 6-chloro-3-(4-pyridyl)-?
You can request a quote for Coumarin, 6-chloro-3-(4-pyridyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 6-chloro-3-(4-pyridyl)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 6-chloro-3-(4-pyridyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.