2-(Phenylsulfanyl)butanedioic acid
TL;DR: 2-(Phenylsulfanyl)butanedioic acid (CAS 884-34-4) is a chemical compound with molecular formula C10H10O4S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylbutanedioic acid
Also Known As: 2-(phenylsulfanyl)butanedioic acid, 2-(phenylthio)succinic acid, 2-phenylsulfanylbutanedioic acid, RefChem:254574
| Molecular Formula | C10H10O4S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.02998 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 884-34-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(CC(=O)O)C(=O)O |
| InChIKey | AOQFKRZIMJECFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylsulfanyl)butanedioic acid (CAS 884-34-4), with molecular formula C10H10O4S and molecular weight 226.03 g/mol. IUPAC: 2-phenylsulfanylbutanedioic acid.
Chemical Property Profile of 2-(Phenylsulfanyl)butanedioic acid
Property Insights of 2-(Phenylsulfanyl)butanedioic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylsulfanyl)butanedioic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylsulfanyl)butanedioic acid. Following Lipinski's Rule of Five, 2-(Phenylsulfanyl)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-(Phenylsulfanyl)butanedioic acid?
The CAS number of 2-(Phenylsulfanyl)butanedioic acid is 884-34-4.
What is the molecular formula of 2-(Phenylsulfanyl)butanedioic acid?
The molecular formula of 2-(Phenylsulfanyl)butanedioic acid is C10H10O4S.
What is the molecular weight of 2-(Phenylsulfanyl)butanedioic acid?
The molecular weight of 2-(Phenylsulfanyl)butanedioic acid is 226.03 g/mol.
Where can I buy 2-(Phenylsulfanyl)butanedioic acid?
You can request a quote for 2-(Phenylsulfanyl)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-(Phenylsulfanyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfanyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.