2-(Isopentylsulfonyl)phenol
TL;DR: 2-(Isopentylsulfonyl)phenol (CAS 29634-36-4) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutylsulfonyl)phenol
Also Known As: 2-(Isopentylsulfonyl)phenol, 2- PHENOL, Phenol, o-(isopentylsulfonyl)-, 2-(Isopentylsulfonyl)phenol #, 2-(3-methylbutylsulfonyl)phenol
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 29634-36-4 |
|---|---|
| SMILES | CC(C)CCS(=O)(=O)C1=CC=CC=C1O |
| InChIKey | OEMXXGPQAUSSPF-UHFFFAOYSA-N |
Product Overview
2-(Isopentylsulfonyl)phenol (CAS 29634-36-4), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: 2-(3-methylbutylsulfonyl)phenol.
Chemical Property Profile of 2-(Isopentylsulfonyl)phenol
Property Insights of 2-(Isopentylsulfonyl)phenol
The XLogP value of 3.0 indicates that 2-(Isopentylsulfonyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isopentylsulfonyl)phenol. Following Lipinski's Rule of Five, 2-(Isopentylsulfonyl)phenol has 1 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 2-(Isopentylsulfonyl)phenol?
The CAS number of 2-(Isopentylsulfonyl)phenol is 29634-36-4.
What is the molecular formula of 2-(Isopentylsulfonyl)phenol?
The molecular formula of 2-(Isopentylsulfonyl)phenol is C11H16O3S.
What is the molecular weight of 2-(Isopentylsulfonyl)phenol?
The molecular weight of 2-(Isopentylsulfonyl)phenol is 228.08 g/mol.
Where can I buy 2-(Isopentylsulfonyl)phenol?
You can request a quote for 2-(Isopentylsulfonyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopentylsulfonyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopentylsulfonyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.