Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester
TL;DR: Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester (CAS 312755-06-9) is a chemical compound with molecular formula C17H11NO3S2 and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-2-sulfanylidene-1,3-thiazol-4-yl) benzoate
Also Known As: BAS 00231546, 3-benzoyl-2-thioxo-2,3-dihydrothiazol-4-yl benzoate, (3-benzoyl-2-sulfanylidene-1,3-thiazol-4-yl) benzoate, Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester, 3-(phenylcarbonyl)-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl benzoate
| Molecular Formula | C17H11NO3S2 |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 4.18679 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.01804 |
| Heavy Atoms | 23 |
| Complexity | 898.3477 |
Chemical Identifiers
| CAS Number | 312755-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=CSC2=S)OC(=O)C3=CC=CC=C3 |
Product Overview
Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester (CAS 312755-06-9), with molecular formula C17H11NO3S2 and molecular weight 341.02 g/mol. IUPAC: (3-benzoyl-2-sulfanylidene-1,3-thiazol-4-yl) benzoate.
Chemical Property Profile of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester
Property Insights of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester
The XLogP value of 4.18679 indicates that Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester has 0 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 Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester?
The CAS number of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester is 312755-06-9.
What is the molecular formula of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester?
The molecular formula of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester is C17H11NO3S2.
What is the molecular weight of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester?
The molecular weight of Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester is 341.02 g/mol.
Where can I buy Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester?
You can request a quote for Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid 3-benzoyl-2-thioxo-2,3-dihydro-thiazol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.