6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one
TL;DR: 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one (CAS 39730-56-8) is a chemical compound with molecular formula C13H7ClO3S and molecular weight 277.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-hydroxy-2-thiophen-2-ylchromen-4-one
Also Known As: 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one, 6-chloro-3-hydroxy-2-thiophen-2-ylchromen-4-one, 6-chloro-3-hydroxy-2-(thiophen-2-yl)-4H-chromen-4-one, J1.801.233B, 4H-1-Benzopyran-4-one, 6-chloro-3-hydroxy-2-(2-thienyl)-
| Molecular Formula | C13H7ClO3S |
|---|---|
| Molecular Weight | 277.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.98044 |
| Heavy Atoms | 18 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 39730-56-8 |
|---|---|
| SMILES | C1=CSC(=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)O |
| InChIKey | NANFYPCPHFMPPQ-UHFFFAOYSA-N |
Product Overview
6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one (CAS 39730-56-8), with molecular formula C13H7ClO3S and molecular weight 277.98 g/mol. IUPAC: 6-chloro-3-hydroxy-2-thiophen-2-ylchromen-4-one.
Chemical Property Profile of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one
Property Insights of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one
The XLogP value of 3.4 indicates that 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one. Following Lipinski's Rule of Five, 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one 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 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one?
The CAS number of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one is 39730-56-8.
What is the molecular formula of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one?
The molecular formula of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one is C13H7ClO3S.
What is the molecular weight of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one?
The molecular weight of 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one is 277.98 g/mol.
Where can I buy 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one?
You can request a quote for 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-hydroxy-2-(2-thienyl)chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.