柏莫洛芬
TL;DR: 柏莫洛芬 (CAS 78499-27-1) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柏莫洛芬
2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoic acid
Also Known As: Bermoprofen, Dibenon, Bermoprofene, Bermoprofeno, Bermoprofenum
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 78499-27-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2 |
| InChIKey | REHLODZXMGOGQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柏莫洛芬 (CAS 78499-27-1), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoic acid.
Chemical Property Profile of 柏莫洛芬
Property Insights of 柏莫洛芬
The XLogP value of 3.3 indicates that 柏莫洛芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 柏莫洛芬. Following Lipinski's Rule of Five, 柏莫洛芬 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 柏莫洛芬?
The CAS number of 柏莫洛芬 is 78499-27-1.
What is the molecular formula of 柏莫洛芬?
The molecular formula of 柏莫洛芬 is C18H16O4.
What is the molecular weight of 柏莫洛芬?
The molecular weight of 柏莫洛芬 is 296.10 g/mol.
Where can I buy 柏莫洛芬?
You can request a quote for 柏莫洛芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柏莫洛芬?
Yes, KEHONG BIO provides custom synthesis services for 柏莫洛芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.