![1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol structure](/static/products/332/332048-49-4.png)
1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol
TL;DR: 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol (CAS 332048-49-4) is a chemical compound with molecular formula C11H22OS2 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethyl-1,3-dithian-2-yl)-3-methylbutan-1-ol
Also Known As: 2-(1-hydroxy-3-methylbutyl)-2-ethyl-1,3-dithiane, 1-(2-Ethyl-1,3-dithian-2-yl)-3-methyl-1-butanol, 1-(2-ethyl-1,3-dithian-2-yl)-3-methylbutan-1-ol, 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol, 1-(2-Ethyl-1,3-dithian-2-yl)-3-methyl-1-butanol #
| Molecular Formula | C11H22OS2 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.1112 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 332048-49-4 |
|---|---|
| SMILES | CCC1(SCCCS1)C(CC(C)C)O |
| InChIKey | CGRRJYSPPBRICH-UHFFFAOYSA-N |
Product Overview
1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol (CAS 332048-49-4), with molecular formula C11H22OS2 and molecular weight 234.11 g/mol. IUPAC: 1-(2-ethyl-1,3-dithian-2-yl)-3-methylbutan-1-ol.
Chemical Property Profile of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol
Property Insights of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol
The XLogP value of 3.6 indicates that 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol. Following Lipinski's Rule of Five, 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-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-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol?
The CAS number of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol is 332048-49-4.
What is the molecular formula of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol?
The molecular formula of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol is C11H22OS2.
What is the molecular weight of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol?
The molecular weight of 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol is 234.11 g/mol.
Where can I buy 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol?
You can request a quote for 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethyl-[1,3]dithian-2-yl)-3-methyl-butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.