7-Benzyl-O-esculetin
TL;DR: 7-Benzyl-O-esculetin (CAS 895-61-4) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-7-phenylmethoxychromen-2-one
Also Known As: 7-Benzyl-O-esculetin, Esculetin-7-benzyl ether, 6-hydroxy-7-phenylmethoxychromen-2-one, 7-(benzyloxy)-6-hydroxy-2H-chromen-2-one, 7-benzyloxy-6-hydroxycoumarin
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.0776 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 790.4311 |
Chemical Identifiers
| CAS Number | 895-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C3C=CC(=O)OC3=C2)O |
Product Overview
7-Benzyl-O-esculetin (CAS 895-61-4), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 6-hydroxy-7-phenylmethoxychromen-2-one.
Chemical Property Profile of 7-Benzyl-O-esculetin
Property Insights of 7-Benzyl-O-esculetin
The XLogP value of 3.0776 indicates that 7-Benzyl-O-esculetin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, 7-Benzyl-O-esculetin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzyl-O-esculetin has 1 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 7-Benzyl-O-esculetin?
The CAS number of 7-Benzyl-O-esculetin is 895-61-4.
What is the molecular formula of 7-Benzyl-O-esculetin?
The molecular formula of 7-Benzyl-O-esculetin is C16H12O4.
What is the molecular weight of 7-Benzyl-O-esculetin?
The molecular weight of 7-Benzyl-O-esculetin is 268.07 g/mol.
Where can I buy 7-Benzyl-O-esculetin?
You can request a quote for 7-Benzyl-O-esculetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyl-O-esculetin?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-O-esculetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.