3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol
TL;DR: 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol (CAS 70150-96-8) is a chemical compound with molecular formula C11H23ClO2S and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfinyl-3-chloro-2-methylhexan-2-ol
Also Known As: 3-butylsulfinyl-3-chloro-2-methylhexan-2-ol, 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol, 3-(butane-1-sulfinyl)-3-chloro-2-methyl-hexan-2-ol
| Molecular Formula | C11H23ClO2S |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.11073 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 70150-96-8 |
|---|---|
| SMILES | CCCCS(=O)C(CCC)(C(C)(C)O)Cl |
| InChIKey | IWJAXOWKXQRMOZ-UHFFFAOYSA-N |
Product Overview
3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol (CAS 70150-96-8), with molecular formula C11H23ClO2S and molecular weight 254.11 g/mol. IUPAC: 3-butylsulfinyl-3-chloro-2-methylhexan-2-ol.
Chemical Property Profile of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol
Property Insights of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol. With a topological polar surface area (TPSA) of 56.5 Ų, 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-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 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol?
The CAS number of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol is 70150-96-8.
What is the molecular formula of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol?
The molecular formula of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol is C11H23ClO2S.
What is the molecular weight of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol?
The molecular weight of 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol is 254.11 g/mol.
Where can I buy 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol?
You can request a quote for 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butane-1-sulfinyl)-3-chloro-2-methylhexan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.