4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
TL;DR: 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (CAS 838889-87-5) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
Also Known As: 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide, AP-970/43204162
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 3.81442 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 792.8922 |
Chemical Identifiers
| CAS Number | 838889-87-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC3=NSN=C32)C |
Product Overview
4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (CAS 838889-87-5), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.
Chemical Property Profile of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
Property Insights of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
The XLogP value of 3.81442 indicates that 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide 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 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The CAS number of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is 838889-87-5.
What is the molecular formula of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The molecular formula of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is C16H15N3OS.
What is the molecular weight of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The molecular weight of 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is 297.09 g/mol.
Where can I buy 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
You can request a quote for 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.