Benoxaprofen, (S)-
TL;DR: Benoxaprofen, (S)- (CAS 66934-19-8) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: Benoxaprofen, Benoxaprofen, (S)-, (S)-benoxaprofen, 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-, (S)-, (2S)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.3363 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 808.00507 |
Chemical Identifiers
| CAS Number | 66934-19-8 |
|---|---|
| SMILES | C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
Benoxaprofen, (S)- (CAS 66934-19-8), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: (2S)-2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of Benoxaprofen, (S)-
Property Insights of Benoxaprofen, (S)-
The XLogP value of 4.3363 indicates that Benoxaprofen, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Benoxaprofen, (S)-. Following Lipinski's Rule of Five, Benoxaprofen, (S)- has 1 hydrogen bond donor(s) and 3 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 Benoxaprofen, (S)-?
The CAS number of Benoxaprofen, (S)- is 66934-19-8.
What is the molecular formula of Benoxaprofen, (S)-?
The molecular formula of Benoxaprofen, (S)- is C16H12ClNO3.
What is the molecular weight of Benoxaprofen, (S)-?
The molecular weight of Benoxaprofen, (S)- is 301.05 g/mol.
Where can I buy Benoxaprofen, (S)-?
You can request a quote for Benoxaprofen, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benoxaprofen, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benoxaprofen, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.