4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester
TL;DR: 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester (CAS 313497-77-7) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-amino-1,3-benzoxazol-2-yl)benzoate
Also Known As: 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester, Methyl 4-(5-aminobenzo[d]oxazol-2-yl)benzoate, BAS 03420827, methyl 4-(5-amino-1,3-benzoxazol-2-yl)benzoate, Methyl4-(5-aminobenzo[d]oxazol-2-yl)benzoate
| Molecular Formula | C15H12N2O3 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08478 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 313497-77-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N |
| InChIKey | UDGYKCVAUGBMGP-UHFFFAOYSA-N |
Product Overview
4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester (CAS 313497-77-7), with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol. IUPAC: methyl 4-(5-amino-1,3-benzoxazol-2-yl)benzoate.
Chemical Property Profile of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester
Property Insights of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester 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 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester?
The CAS number of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester is 313497-77-7.
What is the molecular formula of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester?
The molecular formula of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester is C15H12N2O3.
What is the molecular weight of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester?
The molecular weight of 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester is 268.08 g/mol.
Where can I buy 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester?
You can request a quote for 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Amino-benzooxazol-2-yl)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.