N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide
TL;DR: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide (CAS 893780-40-0) is a chemical compound with molecular formula C11H12ClN3OS and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide
Also Known As: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide, A4130/0176140
| Molecular Formula | C11H12ClN3OS |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.3293 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.03897 |
| Heavy Atoms | 17 |
| Complexity | 552.64014 |
Chemical Identifiers
| CAS Number | 893780-40-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=C(C=CC2=NSN=C21)Cl |
Product Overview
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide (CAS 893780-40-0), with molecular formula C11H12ClN3OS and molecular weight 269.04 g/mol. IUPAC: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide.
Chemical Property Profile of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide
Property Insights of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide
The XLogP value of 3.3293 indicates that N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide 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 N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide?
The CAS number of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide is 893780-40-0.
What is the molecular formula of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide?
The molecular formula of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide is C11H12ClN3OS.
What is the molecular weight of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide?
The molecular weight of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide is 269.04 g/mol.
Where can I buy N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide?
You can request a quote for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.