3-(4-Chlorobenzoyl)-6-methoxychromen-4-one
TL;DR: 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one (CAS 332102-95-1) is a chemical compound with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorobenzoyl)-6-methoxychromen-4-one
Also Known As: 3-(4-chlorobenzoyl)-6-methoxychromen-4-one, BAS 01121782, 3-(4-Chloro-benzoyl)-6-methoxy-chromen-4-one, 3-(4-chlorobenzoyl)-6-methoxy-4H-chromen-4-one, 3-[(4-chlorophenyl)carbonyl]-6-methoxy-4H-chromen-4-one
| Molecular Formula | C17H11ClO4 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03458 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 332102-95-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC=C(C2=O)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | VBPIWEFJQJRYPF-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorobenzoyl)-6-methoxychromen-4-one (CAS 332102-95-1), with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol. IUPAC: 3-(4-chlorobenzoyl)-6-methoxychromen-4-one.
Chemical Property Profile of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one
Property Insights of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one
The XLogP value of 3.7 indicates that 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one has 0 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 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one?
The CAS number of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one is 332102-95-1.
What is the molecular formula of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one?
The molecular formula of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one is C17H11ClO4.
What is the molecular weight of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one?
The molecular weight of 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one is 314.03 g/mol.
Where can I buy 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one?
You can request a quote for 3-(4-Chlorobenzoyl)-6-methoxychromen-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-(4-Chlorobenzoyl)-6-methoxychromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorobenzoyl)-6-methoxychromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.