3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide
TL;DR: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide (CAS 790242-80-7) is a chemical compound with molecular formula C21H23ClN2O5S and molecular weight 450.10 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-chlorobenzamide
Also Known As: VU0508079-1, 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide, 3-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chlorobenzamide, F3061-0002, 3-(azepan-1-ylsulfonyl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-chlorobenzamide
| Molecular Formula | C21H23ClN2O5S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.5634 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.10162 |
| Heavy Atoms | 30 |
| Complexity | 1049.3574 |
Chemical Identifiers
| CAS Number | 790242-80-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl |
Product Overview
3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide (CAS 790242-80-7), with molecular formula C21H23ClN2O5S and molecular weight 450.10 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide.
Chemical Property Profile of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide
Property Insights of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide
The XLogP value of 3.5634 indicates that 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide 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-chlorobenzamide. Following Lipinski's Rule of Five, 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide 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-chlorobenzamide?
The CAS number of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide is 790242-80-7.
What is the molecular formula of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide?
The molecular formula of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide is C21H23ClN2O5S.
What is the molecular weight of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide?
The molecular weight of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide is 450.10 g/mol.
Where can I buy 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide?
You can request a quote for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide 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-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.