3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid
TL;DR: 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid (CAS 60788-67-2) 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-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
Also Known As: 3-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid, 3-(benzooxazol-2-ylsulfanyl)propionic acid, 3-(Benzo[d]oxazol-2-ylthio)propanoic acid, 3-benzoxazol-2-ylthiopropanoic acid, thiophene-3-carboxylic acid hydrazide
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 60788-67-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCCC(=O)O |
| InChIKey | DAPKNYUHIYHYBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid (CAS 60788-67-2), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 3-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid
Property Insights of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid 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-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid?
The CAS number of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid is 60788-67-2.
What is the molecular formula of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid?
The molecular formula of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid is C10H9NO3S.
What is the molecular weight of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid?
The molecular weight of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid is 223.03 g/mol.
Where can I buy 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid?
You can request a quote for 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.