硫辛酸
TL;DR: 硫辛酸 (CAS 1077-28-7) is a chemical compound with molecular formula C8H14O2S2 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫辛酸
5-(dithiolan-3-yl)pentanoic acid
Also Known As: thioctic acid, dl-Thioctic acid, lipoic acid, alpha-Lipoic acid, DL-alpha-Lipoic acid
| Molecular Formula | C8H14O2S2 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.04352 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Melting Point | 60.5 |
| Boiling Point | 162.5 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 1077-28-7 |
|---|---|
| SMILES | C1CSSC1CCCCC(=O)O |
| InChIKey | AGBQKNBQESQNJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫辛酸 (CAS 1077-28-7), with molecular formula C8H14O2S2 and molecular weight 206.04 g/mol. IUPAC: 5-(dithiolan-3-yl)pentanoic acid.
Chemical Property Profile of 硫辛酸
Property Insights of 硫辛酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫辛酸. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫辛酸. Following Lipinski's Rule of Five, 硫辛酸 has 1 hydrogen bond donor(s) and 4 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 硫辛酸?
The CAS number of 硫辛酸 is 1077-28-7.
What is the molecular formula of 硫辛酸?
The molecular formula of 硫辛酸 is C8H14O2S2.
What is the molecular weight of 硫辛酸?
The molecular weight of 硫辛酸 is 206.04 g/mol.
Where can I buy 硫辛酸?
You can request a quote for 硫辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫辛酸?
Yes, KEHONG BIO provides custom synthesis services for 硫辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.