3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide
TL;DR: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide (CAS 80357-80-8) is a chemical compound with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide
Also Known As: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide, 3-benzothiazol-2-ylthio-N-phenylpropanamide
| Molecular Formula | C16H14N2OS2 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.05475 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 80357-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2 |
| InChIKey | ZTDBYTQKLFULCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide (CAS 80357-80-8), with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide.
Chemical Property Profile of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide
Property Insights of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide
The XLogP value of 3.1 indicates that 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide 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-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide?
The CAS number of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide is 80357-80-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide?
The molecular formula of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide is C16H14N2OS2.
What is the molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide?
The molecular weight of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide is 314.05 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide?
You can request a quote for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide 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-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.