1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane
TL;DR: 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane (CAS 898646-61-2) is a chemical compound with molecular formula C18H29NO3S and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-tert-butyl-4-ethoxyphenyl)sulfonylazepane
Also Known As: starbld0006130, 1-((3-(tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane, 1-(3-tert-butyl-4-ethoxybenzenesulfonyl)azepane, 1-(3-tert-butyl-4-ethoxyphenyl)sulfonylazepane, VU0493054-1
| Molecular Formula | C18H29NO3S |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 3.9475 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18683 |
| Heavy Atoms | 23 |
| Complexity | 624.15704 |
Chemical Identifiers
| CAS Number | 898646-61-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(C)(C)C |
Product Overview
1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane (CAS 898646-61-2), with molecular formula C18H29NO3S and molecular weight 339.19 g/mol. IUPAC: 1-(3-tert-butyl-4-ethoxyphenyl)sulfonylazepane.
Chemical Property Profile of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane
Property Insights of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane
The XLogP value of 3.9475 indicates that 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane has 0 hydrogen bond donor(s) and 3 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 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane?
The CAS number of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane is 898646-61-2.
What is the molecular formula of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane?
The molecular formula of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane is C18H29NO3S.
What is the molecular weight of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane?
The molecular weight of 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane is 339.19 g/mol.
Where can I buy 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane?
You can request a quote for 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-(Tert-butyl)-4-ethoxyphenyl)sulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.