1-(Benzenesulfonyl)propan-2-ol
TL;DR: 1-(Benzenesulfonyl)propan-2-ol (CAS 68276-72-2) 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.
1-(benzenesulfonyl)propan-2-ol
Also Known As: 1-(benzenesulfonyl)propan-2-ol, 1-(Phenylsulfonyl)-2-propanol, 1-(phenylsulfonyl)propan-2-ol, 2-hydroxypropyl phenyl sulfone, Phenyl(2-hydroxypropyl) sulfone
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 68276-72-2 |
|---|---|
| SMILES | CC(CS(=O)(=O)C1=CC=CC=C1)O |
| InChIKey | ADGDGIOFSAGJEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzenesulfonyl)propan-2-ol (CAS 68276-72-2), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 1-(benzenesulfonyl)propan-2-ol.
Chemical Property Profile of 1-(Benzenesulfonyl)propan-2-ol
Property Insights of 1-(Benzenesulfonyl)propan-2-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)propan-2-ol. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)propan-2-ol. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)propan-2-ol 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 1-(Benzenesulfonyl)propan-2-ol?
The CAS number of 1-(Benzenesulfonyl)propan-2-ol is 68276-72-2.
What is the molecular formula of 1-(Benzenesulfonyl)propan-2-ol?
The molecular formula of 1-(Benzenesulfonyl)propan-2-ol is C9H12O3S.
What is the molecular weight of 1-(Benzenesulfonyl)propan-2-ol?
The molecular weight of 1-(Benzenesulfonyl)propan-2-ol is 200.05 g/mol.
Where can I buy 1-(Benzenesulfonyl)propan-2-ol?
You can request a quote for 1-(Benzenesulfonyl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.