1-Butylsulfonyloctane
TL;DR: 1-Butylsulfonyloctane (CAS 7501-95-3) is a chemical compound with molecular formula C12H26O2S and molecular weight 234.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfonyloctane
Also Known As: 1-butylsulfonyloctane, 1-(Butane-1-sulfonyl)octane
| Molecular Formula | C12H26O2S |
|---|---|
| Molecular Weight | 234.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.16534 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 7501-95-3 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)CCCC |
| InChIKey | BBNILNUVDMZIQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butylsulfonyloctane (CAS 7501-95-3), with molecular formula C12H26O2S and molecular weight 234.17 g/mol. IUPAC: 1-butylsulfonyloctane.
Chemical Property Profile of 1-Butylsulfonyloctane
Property Insights of 1-Butylsulfonyloctane
The XLogP value of 4.3 indicates that 1-Butylsulfonyloctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Butylsulfonyloctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylsulfonyloctane has 0 hydrogen bond donor(s) and 2 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-Butylsulfonyloctane?
The CAS number of 1-Butylsulfonyloctane is 7501-95-3.
What is the molecular formula of 1-Butylsulfonyloctane?
The molecular formula of 1-Butylsulfonyloctane is C12H26O2S.
What is the molecular weight of 1-Butylsulfonyloctane?
The molecular weight of 1-Butylsulfonyloctane is 234.17 g/mol.
Where can I buy 1-Butylsulfonyloctane?
You can request a quote for 1-Butylsulfonyloctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylsulfonyloctane?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylsulfonyloctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.