N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide
TL;DR: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide (CAS 915905-72-5) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.04 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)-3,4-dimethylbenzamide
Also Known As: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide, AP-970/43204045
| Molecular Formula | C15H12ClN3OS |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 4.21384 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.03897 |
| Heavy Atoms | 21 |
| Complexity | 844.051 |
Chemical Identifiers
| CAS Number | 915905-72-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC3=NSN=C32)Cl)C |
Product Overview
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide (CAS 915905-72-5), with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol. IUPAC: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide.
Chemical Property Profile of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide
Property Insights of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide
The XLogP value of 4.21384 indicates that N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide 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)-3,4-dimethylbenzamide 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)-3,4-dimethylbenzamide 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)-3,4-dimethylbenzamide?
The CAS number of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide is 915905-72-5.
What is the molecular formula of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide?
The molecular formula of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide is C15H12ClN3OS.
What is the molecular weight of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide?
The molecular weight of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide is 317.04 g/mol.
Where can I buy N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide?
You can request a quote for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide 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)-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.