3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-
TL;DR: 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- (CAS 76751-98-9) is a chemical compound with molecular formula C17H13NO6 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
Also Known As: 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-, 6-(4-Methoxybenzoyl)-2-oxo-3(2H)-benzoxazoleacetic acid, [6-(4-Methoxybenzoyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetic acid, 2-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid, BRN 5618137
| Molecular Formula | C17H13NO6 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 1.9187 |
| Topological Polar Surface Area | 98.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.07428 |
| Heavy Atoms | 24 |
| Complexity | 980.4786 |
Chemical Identifiers
| CAS Number | 76751-98-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O |
Product Overview
3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- (CAS 76751-98-9), with molecular formula C17H13NO6 and molecular weight 327.07 g/mol. IUPAC: 2-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid.
Chemical Property Profile of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-
Property Insights of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-
The XLogP value of 1.9187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-. The TPSA of 98.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-. Following Lipinski's Rule of Five, 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- 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 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-?
The CAS number of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- is 76751-98-9.
What is the molecular formula of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-?
The molecular formula of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- is C17H13NO6.
What is the molecular weight of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-?
The molecular weight of 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- is 327.07 g/mol.
Where can I buy 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-?
You can request a quote for 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzoxazoleacetic acid, 6-(4-methoxybenzoyl)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.