3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide
TL;DR: 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide (CAS 690247-19-9) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
Also Known As: 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide, 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, 3-(1-azepanylsulfonyl)-N-3-isoxazolyl-4-methylbenzamide, F1651-0080, 3-(azepan-1-ylsulfonyl)-N-(isoxazol-3-yl)-4-methylbenzamide
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 2.80002 |
| Topological Polar Surface Area | 92.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 838.78284 |
Chemical Identifiers
| CAS Number | 690247-19-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide (CAS 690247-19-9), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide.
Chemical Property Profile of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide
Property Insights of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide
The XLogP value of 2.80002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide. The TPSA of 92.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide. Following Lipinski's Rule of Five, 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide has 1 hydrogen bond donor(s) and 5 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 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide?
The CAS number of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide is 690247-19-9.
What is the molecular formula of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide?
The molecular formula of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide is C17H21N3O4S.
What is the molecular weight of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide?
The molecular weight of 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide is 363.13 g/mol.
Where can I buy 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide?
You can request a quote for 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.