8-chloro-4H-chromen-4-one
TL;DR: 8-chloro-4H-chromen-4-one (CAS 95664-16-7) is a chemical compound with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chlorochromen-4-one
Also Known As: 8-chlorochromen-4-one, 8-chloro-4H-chromen-4-one, 8-Chlorochromone, 8-Chloro-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 8-chloro-
| Molecular Formula | C9H5ClO2 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.4464 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.9978 |
| Heavy Atoms | 12 |
| Complexity | 473.15738 |
Chemical Identifiers
| CAS Number | 95664-16-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)OC=CC2=O |
Product Overview
8-chloro-4H-chromen-4-one (CAS 95664-16-7), with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol. IUPAC: 8-chlorochromen-4-one.
Chemical Property Profile of 8-chloro-4H-chromen-4-one
Property Insights of 8-chloro-4H-chromen-4-one
The XLogP value of 2.4464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-4H-chromen-4-one. With a topological polar surface area (TPSA) of 30.21 Ų, 8-chloro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-chloro-4H-chromen-4-one has 0 hydrogen bond donor(s) and 2 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 8-chloro-4H-chromen-4-one?
The CAS number of 8-chloro-4H-chromen-4-one is 95664-16-7.
What is the molecular formula of 8-chloro-4H-chromen-4-one?
The molecular formula of 8-chloro-4H-chromen-4-one is C9H5ClO2.
What is the molecular weight of 8-chloro-4H-chromen-4-one?
The molecular weight of 8-chloro-4H-chromen-4-one is 180.00 g/mol.
Where can I buy 8-chloro-4H-chromen-4-one?
You can request a quote for 8-chloro-4H-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 8-chloro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.