3-巯基-3,3-五亚甲基丙酸
TL;DR: 3-巯基-3,3-五亚甲基丙酸 (CAS 108330-39-8) is a chemical compound with molecular formula C1CCC(CC1)(CC(=O)O)S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-巯基-3,3-五亚甲基丙酸
2-(1-sulfanylcyclohexyl)acetic acid
Also Known As: 2-(1-sulfanylcyclohexyl)acetic acid, 1-Mercaptocyclohexaneacetic acid, 3-Mercapto-3,3-cyclopentamethylenepropionic acid, Cyclohexaneacetic acid, 1-mercapto-, Cyclohexaneacetic acid,1-mercapto
| Molecular Formula | C1CCC(CC1)(CC(=O)O)S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 108330-39-8 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)O)S |
| InChIKey | ONFANJHTZUJAMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-巯基-3,3-五亚甲基丙酸 (CAS 108330-39-8), with molecular formula C1CCC(CC1)(CC(=O)O)S and molecular weight 174.07 g/mol. IUPAC: 2-(1-sulfanylcyclohexyl)acetic acid.
Chemical Property Profile of 3-巯基-3,3-五亚甲基丙酸
Property Insights of 3-巯基-3,3-五亚甲基丙酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-巯基-3,3-五亚甲基丙酸. With a topological polar surface area (TPSA) of 38.3 Ų, 3-巯基-3,3-五亚甲基丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-巯基-3,3-五亚甲基丙酸 has 2 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-巯基-3,3-五亚甲基丙酸?
The CAS number of 3-巯基-3,3-五亚甲基丙酸 is 108330-39-8.
What is the molecular formula of 3-巯基-3,3-五亚甲基丙酸?
The molecular formula of 3-巯基-3,3-五亚甲基丙酸 is C1CCC(CC1)(CC(=O)O)S.
What is the molecular weight of 3-巯基-3,3-五亚甲基丙酸?
The molecular weight of 3-巯基-3,3-五亚甲基丙酸 is 174.07 g/mol.
Where can I buy 3-巯基-3,3-五亚甲基丙酸?
You can request a quote for 3-巯基-3,3-五亚甲基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-巯基-3,3-五亚甲基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-巯基-3,3-五亚甲基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.