3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
TL;DR: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide (CAS 690247-73-5) is a chemical compound with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
Also Known As: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide, F1651-0137, 3-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methylbenzamide, 3-(azepan-1-ylsulfonyl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methylbenzamide, [3-(azaperhydroepinylsulfonyl)-4-methylphenyl]-N-(2H-benzo[3,4-d]1,3-dioxolan- 5-ylmethyl)carboxamide
| Molecular Formula | C22H26N2O5S |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 3.21842 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 1043.4885 |
Chemical Identifiers
| CAS Number | 690247-73-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4 |
Product Overview
3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide (CAS 690247-73-5), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide.
Chemical Property Profile of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
Property Insights of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
The XLogP value of 3.21842 indicates that 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide. Following Lipinski's Rule of Five, 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-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-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
The CAS number of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide is 690247-73-5.
What is the molecular formula of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
The molecular formula of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide is C22H26N2O5S.
What is the molecular weight of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
The molecular weight of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide is 430.16 g/mol.
Where can I buy 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
You can request a quote for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-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-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.