N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺
TL;DR: N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 (CAS 69504-37-6) 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-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺
N-(5-chloro-1,2-benzothiazol-3-yl)acetamide
Also Known As: Acetamide, N-(5-chloro-1,2-benzisothiazol-3-yl)-, N-(5-Chloro-1,2-benzisothiazol-3-yl)acetamide, N-(5-chloro-1,2-benzothiazol-3-yl)acetamide, RefChem:315445
| Molecular Formula | C9H7ClN2OS |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.99677 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 69504-37-6 |
|---|---|
| SMILES | CC(=O)NC1=NSC2=C1C=C(C=C2)Cl |
| InChIKey | MJZBUYYWAOZKIS-UHFFFAOYSA-N |
Product Overview
N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 (CAS 69504-37-6), with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol. IUPAC: N-(5-chloro-1,2-benzothiazol-3-yl)acetamide.
Chemical Property Profile of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺
Property Insights of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺. Following Lipinski's Rule of Five, N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 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-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺?
The CAS number of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 is 69504-37-6.
What is the molecular formula of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺?
The molecular formula of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 is C9H7ClN2OS.
What is the molecular weight of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺?
The molecular weight of N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 is 226.00 g/mol.
Where can I buy N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺?
You can request a quote for N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(5-氯-1,2-苯并异噻唑-3-基)乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.