贝诺酯
TL;DR: 贝诺酯 (CAS 5003-48-5) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贝诺酯
(4-acetamidophenyl) 2-acetyloxybenzoate
Also Known As: Benorilate, Salipran, Fenasprate, Benoral, Benortan
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 5003-48-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C |
| InChIKey | FEJKLNWAOXSSNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
贝诺酯 (CAS 5003-48-5), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: (4-acetamidophenyl) 2-acetyloxybenzoate.
Chemical Property Profile of 贝诺酯
Property Insights of 贝诺酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 贝诺酯. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 贝诺酯. Following Lipinski's Rule of Five, 贝诺酯 has 1 hydrogen bond donor(s) and 5 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 贝诺酯?
The CAS number of 贝诺酯 is 5003-48-5.
What is the molecular formula of 贝诺酯?
The molecular formula of 贝诺酯 is C17H15NO5.
What is the molecular weight of 贝诺酯?
The molecular weight of 贝诺酯 is 313.10 g/mol.
Where can I buy 贝诺酯?
You can request a quote for 贝诺酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贝诺酯?
Yes, KEHONG BIO provides custom synthesis services for 贝诺酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.