2-(Benzyldithio)succinic acid
TL;DR: 2-(Benzyldithio)succinic acid (CAS 94520-49-7) is a chemical compound with molecular formula C11H12O4S2 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzyldisulfanyl)butanedioic acid
Also Known As: 2-(Benzyldithio)succinic acid, 2-(benzyldisulfanyl)butanedioic acid
| Molecular Formula | C11H12O4S2 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.0177 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 94520-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSSC(CC(=O)O)C(=O)O |
| InChIKey | ULHKCUJOONCJHB-UHFFFAOYSA-N |
Product Overview
2-(Benzyldithio)succinic acid (CAS 94520-49-7), with molecular formula C11H12O4S2 and molecular weight 272.02 g/mol. IUPAC: 2-(benzyldisulfanyl)butanedioic acid.
Chemical Property Profile of 2-(Benzyldithio)succinic acid
Property Insights of 2-(Benzyldithio)succinic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzyldithio)succinic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzyldithio)succinic acid. Following Lipinski's Rule of Five, 2-(Benzyldithio)succinic acid 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 2-(Benzyldithio)succinic acid?
The CAS number of 2-(Benzyldithio)succinic acid is 94520-49-7.
What is the molecular formula of 2-(Benzyldithio)succinic acid?
The molecular formula of 2-(Benzyldithio)succinic acid is C11H12O4S2.
What is the molecular weight of 2-(Benzyldithio)succinic acid?
The molecular weight of 2-(Benzyldithio)succinic acid is 272.02 g/mol.
Where can I buy 2-(Benzyldithio)succinic acid?
You can request a quote for 2-(Benzyldithio)succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzyldithio)succinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzyldithio)succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.