4-Chloro-7-methoxy-3-phenyl-chromen-2-one
TL;DR: 4-Chloro-7-methoxy-3-phenyl-chromen-2-one (CAS 111888-13-2) is a chemical compound with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-methoxy-3-phenylchromen-2-one
Also Known As: 4-chloro-7-methoxy-3-phenyl-chromen-2-one, 4-chloro-7-methoxy-3-phenylchromen-2-one
| Molecular Formula | C16H11ClO3 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 4.122 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.03967 |
| Heavy Atoms | 20 |
| Complexity | 822.23987 |
Chemical Identifiers
| CAS Number | 111888-13-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)Cl |
Product Overview
4-Chloro-7-methoxy-3-phenyl-chromen-2-one (CAS 111888-13-2), with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol. IUPAC: 4-chloro-7-methoxy-3-phenylchromen-2-one.
Chemical Property Profile of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one
Property Insights of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one
The XLogP value of 4.122 indicates that 4-Chloro-7-methoxy-3-phenyl-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, 4-Chloro-7-methoxy-3-phenyl-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-7-methoxy-3-phenyl-chromen-2-one 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 4-Chloro-7-methoxy-3-phenyl-chromen-2-one?
The CAS number of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one is 111888-13-2.
What is the molecular formula of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one?
The molecular formula of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one is C16H11ClO3.
What is the molecular weight of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one?
The molecular weight of 4-Chloro-7-methoxy-3-phenyl-chromen-2-one is 286.04 g/mol.
Where can I buy 4-Chloro-7-methoxy-3-phenyl-chromen-2-one?
You can request a quote for 4-Chloro-7-methoxy-3-phenyl-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-7-methoxy-3-phenyl-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-7-methoxy-3-phenyl-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.