Oxazolone thioglycolic acid
TL;DR: Oxazolone thioglycolic acid (CAS 77035-70-2) is a chemical compound with molecular formula C14H13NO5S and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4E)-4-(ethoxymethylidene)-5-oxo-1,3-oxazol-2-yl]phenyl]sulfanylacetic acid
Also Known As: Oxazolone thioglycolic acid, Oxazolone-thioglycollic acid, 3H-1,3-oxazol-2-one,2-sulfanylacetic acid, 2-[2-[(4E)-4-(ethoxymethylidene)-5-oxo-1,3-oxazol-2-yl]phenyl]sulfanylacetic acid, 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-phenyl-, mono((carboxymethyl)thio) deriv.
| Molecular Formula | C14H13NO5S |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 2.0446 |
| Topological Polar Surface Area | 85.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.05145 |
| Heavy Atoms | 21 |
| Complexity | 623.5453 |
Chemical Identifiers
| CAS Number | 77035-70-2 |
|---|---|
| SMILES | CCO/C=C/1\C(=O)OC(=N1)C2=CC=CC=C2SCC(=O)O |
Product Overview
Oxazolone thioglycolic acid (CAS 77035-70-2), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: 2-[2-[(4E)-4-(ethoxymethylidene)-5-oxo-1,3-oxazol-2-yl]phenyl]sulfanylacetic acid.
Chemical Property Profile of Oxazolone thioglycolic acid
Property Insights of Oxazolone thioglycolic acid
The XLogP value of 2.0446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxazolone thioglycolic acid. The TPSA of 85.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxazolone thioglycolic acid. Following Lipinski's Rule of Five, Oxazolone thioglycolic acid 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 Oxazolone thioglycolic acid?
The CAS number of Oxazolone thioglycolic acid is 77035-70-2.
What is the molecular formula of Oxazolone thioglycolic acid?
The molecular formula of Oxazolone thioglycolic acid is C14H13NO5S.
What is the molecular weight of Oxazolone thioglycolic acid?
The molecular weight of Oxazolone thioglycolic acid is 307.05 g/mol.
Where can I buy Oxazolone thioglycolic acid?
You can request a quote for Oxazolone thioglycolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxazolone thioglycolic acid?
Yes, KEHONG BIO provides custom synthesis services for Oxazolone thioglycolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.