硫代二戊酸
TL;DR: 硫代二戊酸 (CAS 1111-64-4) is a chemical compound with molecular formula C10H18O4S and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代二戊酸
5-(4-carboxybutylsulfanyl)pentanoic acid
Also Known As: Thiodivaleric acid, 5,5'-Thiodivaleric acid, Pentanoic acid, 5,5'-thiobis-, Valeric acid, 5,5'-thiodi-, 5,5'-sulfanediyldipentanoic acid
| Molecular Formula | C10H18O4S |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.09258 |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 1111-64-4 |
|---|---|
| SMILES | C(CCSCCCCC(=O)O)CC(=O)O |
| InChIKey | ACAYZXFEFNEADF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代二戊酸 (CAS 1111-64-4), with molecular formula C10H18O4S and molecular weight 234.09 g/mol. IUPAC: 5-(4-carboxybutylsulfanyl)pentanoic acid.
Chemical Property Profile of 硫代二戊酸
Property Insights of 硫代二戊酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代二戊酸. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫代二戊酸. Following Lipinski's Rule of Five, 硫代二戊酸 has 2 hydrogen bond donor(s) and 5 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 硫代二戊酸?
The CAS number of 硫代二戊酸 is 1111-64-4.
What is the molecular formula of 硫代二戊酸?
The molecular formula of 硫代二戊酸 is C10H18O4S.
What is the molecular weight of 硫代二戊酸?
The molecular weight of 硫代二戊酸 is 234.09 g/mol.
Where can I buy 硫代二戊酸?
You can request a quote for 硫代二戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代二戊酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代二戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.