N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-chloroacetamide (CAS 3028-02-2) is a chemical compound with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
Also Known As: N-1,3-benzothiazol-2-yl-2-chloroacetamide, N-(1,3-benzothiazol-2-yl)-2-chloroacetamide, N-Benzothiazol-2-yl-2-chloro-acetamide, N-(benzo[d]thiazol-2-yl)-2-chloroacetamide, 2-(Chloroacetylamino)benzothiazole
| Molecular Formula | C9H7ClN2OS |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.4736 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.99677 |
| Heavy Atoms | 14 |
| Complexity | 435.53482 |
Chemical Identifiers
| CAS Number | 3028-02-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CCl |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-chloroacetamide (CAS 3028-02-2), with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-chloroacetamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
The XLogP value of 2.4736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzothiazol-2-yl)-2-chloroacetamide. With a topological polar surface area (TPSA) of 41.99 Ų, N-(1,3-benzothiazol-2-yl)-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-chloroacetamide has 1 hydrogen bond donor(s) and 3 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 N-(1,3-benzothiazol-2-yl)-2-chloroacetamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide is 3028-02-2.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide is C9H7ClN2OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-chloroacetamide is 226.00 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-chloroacetamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.