3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester
TL;DR: 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester (CAS 313684-42-3) is a chemical compound with molecular formula C14H17NO3S and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoate
Also Known As: BAS 00394300, 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester, butyl 3-(2-thioxo-3-hydrobenzoxazol-3-yl)propanoate, butyl 3-(2-thioxobenzo[d]oxazol-3(2H)-yl)propanoate, butyl 3-(2-thioxo-1,3-benzoxazol-3(2H)-yl)propanoate
| Molecular Formula | C14H17NO3S |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.09293 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 313684-42-3 |
|---|---|
| SMILES | CCCCOC(=O)CCN1C2=CC=CC=C2OC1=S |
| InChIKey | LIOQOOMBIHJXGS-UHFFFAOYSA-N |
Product Overview
3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester (CAS 313684-42-3), with molecular formula C14H17NO3S and molecular weight 279.09 g/mol. IUPAC: butyl 3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoate.
Chemical Property Profile of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester
Property Insights of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester
The XLogP value of 3.0 indicates that 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester. Following Lipinski's Rule of Five, 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester has 0 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 butyl ester?
The CAS number of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester is 313684-42-3.
What is the molecular formula of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester?
The molecular formula of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester is C14H17NO3S.
What is the molecular weight of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester?
The molecular weight of 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester is 279.09 g/mol.
Where can I buy 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester?
You can request a quote for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester 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 butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Thioxo-benzooxazol-3-yl)-propionic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.