2-(Propylsulfanyl)butanedioic acid
TL;DR: 2-(Propylsulfanyl)butanedioic acid (CAS 45015-91-6) is a chemical compound with molecular formula C7H12O4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylsulfanylbutanedioic acid
Also Known As: 2-propylsulfanylbutanedioic acid, 2-(Propylsulfanyl)butanedioic acid, BUTANEDIOIC ACID,2-(PROPYLTHIO)-
| Molecular Formula | C7H12O4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.04562 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 45015-91-6 |
|---|---|
| SMILES | CCCSC(CC(=O)O)C(=O)O |
| InChIKey | VSXFXFSHZGLCKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Propylsulfanyl)butanedioic acid (CAS 45015-91-6), with molecular formula C7H12O4S and molecular weight 192.05 g/mol. IUPAC: 2-propylsulfanylbutanedioic acid.
Chemical Property Profile of 2-(Propylsulfanyl)butanedioic acid
Property Insights of 2-(Propylsulfanyl)butanedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Propylsulfanyl)butanedioic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Propylsulfanyl)butanedioic acid. Following Lipinski's Rule of Five, 2-(Propylsulfanyl)butanedioic acid 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 2-(Propylsulfanyl)butanedioic acid?
The CAS number of 2-(Propylsulfanyl)butanedioic acid is 45015-91-6.
What is the molecular formula of 2-(Propylsulfanyl)butanedioic acid?
The molecular formula of 2-(Propylsulfanyl)butanedioic acid is C7H12O4S.
What is the molecular weight of 2-(Propylsulfanyl)butanedioic acid?
The molecular weight of 2-(Propylsulfanyl)butanedioic acid is 192.05 g/mol.
Where can I buy 2-(Propylsulfanyl)butanedioic acid?
You can request a quote for 2-(Propylsulfanyl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Propylsulfanyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Propylsulfanyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.