Isobutyl benzenesulfonate
TL;DR: Isobutyl benzenesulfonate (CAS 6214-18-2) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl benzenesulfonate
Also Known As: Isobutyl benzenesulfonate, 2-methylpropyl benzenesulfonate, Isobutylbenzenesulfonate, isobutyl phenylsulfonate, ISOPROPYL BENZENESULFONATE
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.0479 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 367.6134 |
Chemical Identifiers
| CAS Number | 6214-18-2 |
|---|---|
| SMILES | CC(C)COS(=O)(=O)C1=CC=CC=C1 |
Product Overview
Isobutyl benzenesulfonate (CAS 6214-18-2), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 2-methylpropyl benzenesulfonate.
Chemical Property Profile of Isobutyl benzenesulfonate
Property Insights of Isobutyl benzenesulfonate
The XLogP value of 2.0479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl benzenesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, Isobutyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl benzenesulfonate 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 Isobutyl benzenesulfonate?
The CAS number of Isobutyl benzenesulfonate is 6214-18-2.
What is the molecular formula of Isobutyl benzenesulfonate?
The molecular formula of Isobutyl benzenesulfonate is C10H14O3S.
What is the molecular weight of Isobutyl benzenesulfonate?
The molecular weight of Isobutyl benzenesulfonate is 214.07 g/mol.
Where can I buy Isobutyl benzenesulfonate?
You can request a quote for Isobutyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.