6,7-Benzocoumarin
TL;DR: 6,7-Benzocoumarin (CAS 3023-98-1) is a chemical compound with molecular formula C13H8O2 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[g]chromen-2-one
Also Known As: 6,7-Benzocoumarin, benzocoumarin, 2H-benzo[g]chromen-2-one, benzo[g]chromen-2-one, 2H-Naphtho[2,3-b]pyran-2-one
| Molecular Formula | C13H8O2 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.9462 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.05243 |
| Heavy Atoms | 15 |
| Complexity | 695.28986 |
Chemical Identifiers
| CAS Number | 3023-98-1 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC(=O)O3 |
Product Overview
6,7-Benzocoumarin (CAS 3023-98-1), with molecular formula C13H8O2 and molecular weight 196.05 g/mol. IUPAC: benzo[g]chromen-2-one.
Chemical Property Profile of 6,7-Benzocoumarin
Property Insights of 6,7-Benzocoumarin
The XLogP value of 2.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Benzocoumarin. With a topological polar surface area (TPSA) of 30.21 Ų, 6,7-Benzocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Benzocoumarin 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 6,7-Benzocoumarin?
The CAS number of 6,7-Benzocoumarin is 3023-98-1.
What is the molecular formula of 6,7-Benzocoumarin?
The molecular formula of 6,7-Benzocoumarin is C13H8O2.
What is the molecular weight of 6,7-Benzocoumarin?
The molecular weight of 6,7-Benzocoumarin is 196.05 g/mol.
Where can I buy 6,7-Benzocoumarin?
You can request a quote for 6,7-Benzocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Benzocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Benzocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.