1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol
TL;DR: 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol (CAS 21849-28-5) is a chemical compound with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfinyl)-1-chloro-2-methylpropan-2-ol
Also Known As: 1-(benzenesulfinyl)-1-chloro-2-methylpropan-2-ol, RefChem:226045
| Molecular Formula | C10H13ClO2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03249 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 21849-28-5 |
|---|---|
| SMILES | CC(C)(C(S(=O)C1=CC=CC=C1)Cl)O |
| InChIKey | AVTBKRYJAMAUKU-UHFFFAOYSA-N |
Product Overview
1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol (CAS 21849-28-5), with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol. IUPAC: 1-(benzenesulfinyl)-1-chloro-2-methylpropan-2-ol.
Chemical Property Profile of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol
Property Insights of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol. With a topological polar surface area (TPSA) of 56.5 Ų, 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-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-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol?
The CAS number of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol is 21849-28-5.
What is the molecular formula of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol?
The molecular formula of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol is C10H13ClO2S.
What is the molecular weight of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol?
The molecular weight of 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol is 232.03 g/mol.
Where can I buy 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol?
You can request a quote for 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-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-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfinyl)-1-chloro-2-methylpropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.