环己烷-1,1-双(3-硫代丙酸)
TL;DR: 环己烷-1,1-双(3-硫代丙酸) (CAS 4265-55-8) is a chemical compound with molecular formula C12H20O4S2 and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己烷-1,1-双(3-硫代丙酸)
3-[1-(2-carboxyethylsulfanyl)cyclohexyl]sulfanylpropanoic acid
Also Known As: Cyclohexane-1,1-bis(3-thiopropionic acid), 3-[1-(2-carboxyethylsulfanyl)cyclohexyl]sulfanylpropanoic acid, 3-[1- cyclohexyl]sulfanylpropanoicacid, Cyclohexane-1,1-bis(3-thiopropionic acid)-,, 3,3'-cyclohexylidenedimercapto-di-propionic acid
| Molecular Formula | C12H20O4S2 |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 292.0803 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 4265-55-8 |
|---|---|
| SMILES | C1CCC(CC1)(SCCC(=O)O)SCCC(=O)O |
| InChIKey | DIKBCETVRUZRBJ-UHFFFAOYSA-N |
Product Overview
环己烷-1,1-双(3-硫代丙酸) (CAS 4265-55-8), with molecular formula C12H20O4S2 and molecular weight 292.08 g/mol. IUPAC: 3-[1-(2-carboxyethylsulfanyl)cyclohexyl]sulfanylpropanoic acid.
Chemical Property Profile of 环己烷-1,1-双(3-硫代丙酸)
Property Insights of 环己烷-1,1-双(3-硫代丙酸)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环己烷-1,1-双(3-硫代丙酸). The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 环己烷-1,1-双(3-硫代丙酸). Following Lipinski's Rule of Five, 环己烷-1,1-双(3-硫代丙酸) has 2 hydrogen bond donor(s) and 6 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 环己烷-1,1-双(3-硫代丙酸)?
The CAS number of 环己烷-1,1-双(3-硫代丙酸) is 4265-55-8.
What is the molecular formula of 环己烷-1,1-双(3-硫代丙酸)?
The molecular formula of 环己烷-1,1-双(3-硫代丙酸) is C12H20O4S2.
What is the molecular weight of 环己烷-1,1-双(3-硫代丙酸)?
The molecular weight of 环己烷-1,1-双(3-硫代丙酸) is 292.08 g/mol.
Where can I buy 环己烷-1,1-双(3-硫代丙酸)?
You can request a quote for 环己烷-1,1-双(3-硫代丙酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己烷-1,1-双(3-硫代丙酸)?
Yes, KEHONG BIO provides custom synthesis services for 环己烷-1,1-双(3-硫代丙酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.