3-chloro-7-hydroxy-4H-chromen-4-one
TL;DR: 3-chloro-7-hydroxy-4H-chromen-4-one (CAS 685848-25-3) is a chemical compound with molecular formula C9H5ClO3 and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-7-hydroxychromen-4-one
Also Known As: 3-chloro-7-hydroxy-4H-chromen-4-one, 3-chloro-7-hydroxychromen-4-one, AURORA 19959, 3-chloro-7-hydroxy-chromen-4-one, 3-Chloro-7-hydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C9H5ClO3 |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 2.152 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.99272 |
| Heavy Atoms | 13 |
| Complexity | 515.739 |
Chemical Identifiers
| CAS Number | 685848-25-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)OC=C(C2=O)Cl |
Product Overview
3-chloro-7-hydroxy-4H-chromen-4-one (CAS 685848-25-3), with molecular formula C9H5ClO3 and molecular weight 195.99 g/mol. IUPAC: 3-chloro-7-hydroxychromen-4-one.
Chemical Property Profile of 3-chloro-7-hydroxy-4H-chromen-4-one
Property Insights of 3-chloro-7-hydroxy-4H-chromen-4-one
The XLogP value of 2.152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-7-hydroxy-4H-chromen-4-one. With a topological polar surface area (TPSA) of 50.44 Ų, 3-chloro-7-hydroxy-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-7-hydroxy-4H-chromen-4-one has 1 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 3-chloro-7-hydroxy-4H-chromen-4-one?
The CAS number of 3-chloro-7-hydroxy-4H-chromen-4-one is 685848-25-3.
What is the molecular formula of 3-chloro-7-hydroxy-4H-chromen-4-one?
The molecular formula of 3-chloro-7-hydroxy-4H-chromen-4-one is C9H5ClO3.
What is the molecular weight of 3-chloro-7-hydroxy-4H-chromen-4-one?
The molecular weight of 3-chloro-7-hydroxy-4H-chromen-4-one is 195.99 g/mol.
Where can I buy 3-chloro-7-hydroxy-4H-chromen-4-one?
You can request a quote for 3-chloro-7-hydroxy-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 3-chloro-7-hydroxy-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-7-hydroxy-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.