2,2-Dimethyl-13-methylsulfonyltridecanenitrile
TL;DR: 2,2-Dimethyl-13-methylsulfonyltridecanenitrile (CAS 93153-24-3) is a chemical compound with molecular formula C16H31NO2S and molecular weight 301.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-13-methylsulfonyltridecanenitrile
Also Known As: 2,2-dimethyl-13-methylsulfonyltridecanenitrile, 13-(Methanesulfonyl)-2,2-dimethyltridecanenitrile
| Molecular Formula | C16H31NO2S |
|---|---|
| Molecular Weight | 301.21 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 301.20755 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 93153-24-3 |
|---|---|
| SMILES | CC(C)(CCCCCCCCCCCS(=O)(=O)C)C#N |
| InChIKey | LTKBGMCLKWWCMG-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-13-methylsulfonyltridecanenitrile (CAS 93153-24-3), with molecular formula C16H31NO2S and molecular weight 301.21 g/mol. IUPAC: 2,2-dimethyl-13-methylsulfonyltridecanenitrile.
Chemical Property Profile of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile
Property Insights of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile
The XLogP value of 5.1 indicates that 2,2-Dimethyl-13-methylsulfonyltridecanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-13-methylsulfonyltridecanenitrile. Following Lipinski's Rule of Five, 2,2-Dimethyl-13-methylsulfonyltridecanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile?
The CAS number of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile is 93153-24-3.
What is the molecular formula of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile?
The molecular formula of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile is C16H31NO2S.
What is the molecular weight of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile?
The molecular weight of 2,2-Dimethyl-13-methylsulfonyltridecanenitrile is 301.21 g/mol.
Where can I buy 2,2-Dimethyl-13-methylsulfonyltridecanenitrile?
You can request a quote for 2,2-Dimethyl-13-methylsulfonyltridecanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-13-methylsulfonyltridecanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-13-methylsulfonyltridecanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.