3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-
TL;DR: 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- (CAS 76752-15-3) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3-yl]propanoic acid
Also Known As: alpha-Methyl-2-oxo-6-(2-thenoyl)-3-benzoxazolineacetic acid, 3-BENZOXAZOLINEACETIC ACID, alpha-METHYL-2-OXO-6-(2-THENOYL)-, 2-[2-Oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid, 2-[2-oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3-yl]propanoic acid, alpha-Methyl-2-oxo-6-(2-thienylcarbonyl)-3(2H)-benzoxazoleacetic acid
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 76752-15-3 |
|---|---|
| SMILES | CC(C(=O)O)N1C2=C(C=C(C=C2)C(=O)C3=CC=CS3)OC1=O |
| InChIKey | PWTWJIYMNWTEKI-UHFFFAOYSA-N |
Product Overview
3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- (CAS 76752-15-3), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: 2-[2-oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3-yl]propanoic acid.
Chemical Property Profile of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-
Property Insights of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-. Following Lipinski's Rule of Five, 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- 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 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-?
The CAS number of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- is 76752-15-3.
What is the molecular formula of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-?
The molecular formula of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- is C15H11NO5S.
What is the molecular weight of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-?
The molecular weight of 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- is 317.04 g/mol.
Where can I buy 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-?
You can request a quote for 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.