2-(Isopropylsulfonyl)phenol
TL;DR: 2-(Isopropylsulfonyl)phenol (CAS 29725-22-2) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfonylphenol
Also Known As: 2-(Isopropylsulfonyl)phenol, 2-propan-2-ylsulfonylphenol, 2-(propane-2-sulfonyl)phenol, o-(Isopropylsulfonyl)phenol, Phenol, o-(isopropylsulfonyl)-
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 29725-22-2 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CC=CC=C1O |
| InChIKey | IWURHIKBBLCEAP-UHFFFAOYSA-N |
Product Overview
2-(Isopropylsulfonyl)phenol (CAS 29725-22-2), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 2-propan-2-ylsulfonylphenol.
Chemical Property Profile of 2-(Isopropylsulfonyl)phenol
Property Insights of 2-(Isopropylsulfonyl)phenol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropylsulfonyl)phenol. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isopropylsulfonyl)phenol. Following Lipinski's Rule of Five, 2-(Isopropylsulfonyl)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-(Isopropylsulfonyl)phenol?
The CAS number of 2-(Isopropylsulfonyl)phenol is 29725-22-2.
What is the molecular formula of 2-(Isopropylsulfonyl)phenol?
The molecular formula of 2-(Isopropylsulfonyl)phenol is C9H12O3S.
What is the molecular weight of 2-(Isopropylsulfonyl)phenol?
The molecular weight of 2-(Isopropylsulfonyl)phenol is 200.05 g/mol.
Where can I buy 2-(Isopropylsulfonyl)phenol?
You can request a quote for 2-(Isopropylsulfonyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopropylsulfonyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropylsulfonyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.