8-Bromo-6-chloro-4-methyl-3-phenylcoumarin
TL;DR: 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin (CAS 332104-25-3) is a chemical compound with molecular formula C16H10BrClO2 and molecular weight 347.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-6-chloro-4-methyl-3-phenylchromen-2-one
Also Known As: 8-BROMO-6-CHLORO-4-METHYL-3-PHENYLCOUMARIN, 8-bromo-6-chloro-4-methyl-3-phenylchromen-2-one, 6-BROMO-8-CHLORO-4-METHYL-3-PHENYLCOUMARIN
| Molecular Formula | C16H10BrClO2 |
|---|---|
| Molecular Weight | 347.96 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.95526 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 332104-25-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C(C=C2Br)Cl)C3=CC=CC=C3 |
| InChIKey | GRNKFMFZOXQAGS-UHFFFAOYSA-N |
Product Overview
8-Bromo-6-chloro-4-methyl-3-phenylcoumarin (CAS 332104-25-3), with molecular formula C16H10BrClO2 and molecular weight 347.96 g/mol. IUPAC: 8-bromo-6-chloro-4-methyl-3-phenylchromen-2-one.
Chemical Property Profile of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin
Property Insights of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin
The XLogP value of 4.8 indicates that 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin 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-Bromo-6-chloro-4-methyl-3-phenylcoumarin?
The CAS number of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin is 332104-25-3.
What is the molecular formula of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin?
The molecular formula of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin is C16H10BrClO2.
What is the molecular weight of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin?
The molecular weight of 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin is 347.96 g/mol.
Where can I buy 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin?
You can request a quote for 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-6-chloro-4-methyl-3-phenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.