(2,2-二甲基-1,3-二硫戊环-4-基)甲醇
TL;DR: (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 (CAS 5694-47-3) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-二甲基-1,3-二硫戊环-4-基)甲醇
(2,2-dimethyl-1,3-dithiolan-4-yl)methanol
Also Known As: Dithiolane deriv., (2,2-dimethyl-1,3-dithiolan-4-yl)methanol, 2,2-Dimethyl-1,3-dithiolane-4-methanol, 2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolane, 2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolan
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 5694-47-3 |
|---|---|
| SMILES | CC1(SCC(S1)CO)C |
| InChIKey | MPNNLCONPWKVOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-二甲基-1,3-二硫戊环-4-基)甲醇 (CAS 5694-47-3), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: (2,2-dimethyl-1,3-dithiolan-4-yl)methanol.
Chemical Property Profile of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇
Property Insights of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-二甲基-1,3-二硫戊环-4-基)甲醇. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-二甲基-1,3-二硫戊环-4-基)甲醇. Following Lipinski's Rule of Five, (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 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 (2,2-二甲基-1,3-二硫戊环-4-基)甲醇?
The CAS number of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 is 5694-47-3.
What is the molecular formula of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇?
The molecular formula of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 is C6H12OS2.
What is the molecular weight of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇?
The molecular weight of (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 is 164.03 g/mol.
Where can I buy (2,2-二甲基-1,3-二硫戊环-4-基)甲醇?
You can request a quote for (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-二甲基-1,3-二硫戊环-4-基)甲醇?
Yes, KEHONG BIO provides custom synthesis services for (2,2-二甲基-1,3-二硫戊环-4-基)甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.