![2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide structure](/static/products/399/399008-95-8.png)
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
TL;DR: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide (CAS 399008-95-8) is a chemical compound with molecular formula C16H10ClN3OS2 and molecular weight 359.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
Also Known As: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide, 2-((5-chlorobenzo[d]thiazol-2-yl)thio)-N-(2-cyanophenyl)acetamide, 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-cyanophenyl)acetamide, 2-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)SULFANYL]-N~1~-(2-CYANOPHENYL)ACETAMIDE
| Molecular Formula | C16H10ClN3OS2 |
|---|---|
| Molecular Weight | 359.00 g/mol |
| LogP | 4.55218 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.9954 |
| Heavy Atoms | 23 |
| Complexity | 917.0745 |
Chemical Identifiers
| CAS Number | 399008-95-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl |
Product Overview
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide (CAS 399008-95-8), with molecular formula C16H10ClN3OS2 and molecular weight 359.00 g/mol. IUPAC: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide.
Chemical Property Profile of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
Property Insights of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
The XLogP value of 4.55218 indicates that 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide. Following Lipinski's Rule of Five, 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide 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 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The CAS number of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is 399008-95-8.
What is the molecular formula of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The molecular formula of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is C16H10ClN3OS2.
What is the molecular weight of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
The molecular weight of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide is 359.00 g/mol.
Where can I buy 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
You can request a quote for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.