3-(2-Thioxo-benzooxazol-3-yl)-propionic acid
TL;DR: 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid (CAS 51502-45-5) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoic acid
Also Known As: 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid, Methyl Perfluorononanoate, 3-(2-Thioxobenzo[d]oxazol-3(2H)-yl)propanoic acid, BAS 00281018, 3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoic acid
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 51502-45-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)O2)CCC(=O)O |
| InChIKey | QUSAZJGKDUUSPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Thioxo-benzooxazol-3-yl)-propionic acid (CAS 51502-45-5), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoic acid.
Chemical Property Profile of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid
Property Insights of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid 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-(2-Thioxo-benzooxazol-3-yl)-propionic acid?
The CAS number of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid is 51502-45-5.
What is the molecular formula of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid?
The molecular formula of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid is C10H9NO3S.
What is the molecular weight of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid?
The molecular weight of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid is 223.03 g/mol.
Where can I buy 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid?
You can request a quote for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.