3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-
TL;DR: 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- (CAS 76751-96-7) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Also Known As: 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-, 6-Benzoyl-2-oxo-3(2H)-benzoxazoleacetic acid, 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid, (6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid, 2-[6-(benzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 1.9101 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 920.6092 |
Chemical Identifiers
| CAS Number | 76751-96-7 |
|---|---|
| SMILES | C1=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-benzoyl-2-oxo- (CAS 76751-96-7), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
Chemical Property Profile of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-
Property Insights of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-
The XLogP value of 1.9101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-. Following Lipinski's Rule of Five, 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- 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 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-?
The CAS number of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- is 76751-96-7.
What is the molecular formula of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-?
The molecular formula of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- is C16H11NO5.
What is the molecular weight of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-?
The molecular weight of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- is 297.06 g/mol.
Where can I buy 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-?
You can request a quote for 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-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-benzoyl-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.