1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane
TL;DR: 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane (CAS 898646-72-5) is a chemical compound with molecular formula C16H25NO3S and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxy-5-propan-2-ylphenyl)sulfonylazepane
Also Known As: starbld0001659, 1-((5-isopropyl-2-methoxyphenyl)sulfonyl)azepane, 1-(2-methoxy-5-propan-2-ylphenyl)sulfonylazepane, VU0493058-1, 1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]azepane
| Molecular Formula | C16H25NO3S |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 3.3833 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.15552 |
| Heavy Atoms | 21 |
| Complexity | 573.18494 |
Chemical Identifiers
| CAS Number | 898646-72-5 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2 |
Product Overview
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane (CAS 898646-72-5), with molecular formula C16H25NO3S and molecular weight 311.16 g/mol. IUPAC: 1-(2-methoxy-5-propan-2-ylphenyl)sulfonylazepane.
Chemical Property Profile of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane
Property Insights of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane
The XLogP value of 3.3833 indicates that 1-((5-Isopropyl-2-methoxyphenyl)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-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((5-Isopropyl-2-methoxyphenyl)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-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane?
The CAS number of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane is 898646-72-5.
What is the molecular formula of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane?
The molecular formula of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane is C16H25NO3S.
What is the molecular weight of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane?
The molecular weight of 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane is 311.16 g/mol.
Where can I buy 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane?
You can request a quote for 1-((5-Isopropyl-2-methoxyphenyl)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-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.