1-Heptylsulfonylheptane
TL;DR: 1-Heptylsulfonylheptane (CAS 16891-95-5) is a chemical compound with molecular formula C14H30O2S and molecular weight 262.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-heptylsulfonylheptane
Also Known As: 1-heptylsulfonylheptane, 1-(HEPTANE-1-SULFONYL)HEPTANE, RefChem:230663
| Molecular Formula | C14H30O2S |
|---|---|
| Molecular Weight | 262.20 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 262.19666 |
| Heavy Atoms | 17 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 16891-95-5 |
|---|---|
| SMILES | CCCCCCCS(=O)(=O)CCCCCCC |
| InChIKey | VTHAYUPMFCMKIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptylsulfonylheptane (CAS 16891-95-5), with molecular formula C14H30O2S and molecular weight 262.20 g/mol. IUPAC: 1-heptylsulfonylheptane.
Chemical Property Profile of 1-Heptylsulfonylheptane
Property Insights of 1-Heptylsulfonylheptane
The XLogP value of 5.4 indicates that 1-Heptylsulfonylheptane 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-Heptylsulfonylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptylsulfonylheptane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Heptylsulfonylheptane?
The CAS number of 1-Heptylsulfonylheptane is 16891-95-5.
What is the molecular formula of 1-Heptylsulfonylheptane?
The molecular formula of 1-Heptylsulfonylheptane is C14H30O2S.
What is the molecular weight of 1-Heptylsulfonylheptane?
The molecular weight of 1-Heptylsulfonylheptane is 262.20 g/mol.
Where can I buy 1-Heptylsulfonylheptane?
You can request a quote for 1-Heptylsulfonylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptylsulfonylheptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptylsulfonylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.