5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-
TL;DR: 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- (CAS 51234-92-5) is a chemical compound with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Also Known As: benoxaprofen,monosodium salt, alpha-Methyl-2-(4-nitrophenyl)-5-benzoxazoleacetic acid, 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid, 5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(4-NITROPHENYL)-, 2-[2-(4-nitrophenyl)benzooxazol-5-yl]propanoic acid
| Molecular Formula | C16H12N2O5 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07462 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 51234-92-5 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O |
| InChIKey | YLUWIWDPTZHXQS-UHFFFAOYSA-N |
Product Overview
5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- (CAS 51234-92-5), with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol. IUPAC: 2-[2-(4-nitrophenyl)-1,3-benzoxazol-5-yl]propanoic acid.
Chemical Property Profile of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-
Property Insights of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-
The XLogP value of 3.3 indicates that 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 6 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 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-?
The CAS number of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- is 51234-92-5.
What is the molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-?
The molecular formula of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- is C16H12N2O5.
What is the molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-?
The molecular weight of 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- is 312.07 g/mol.
Where can I buy 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-?
You can request a quote for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.