2-(7H-purin-6-ylsulfanyl)butanedioic Acid
TL;DR: 2-(7H-purin-6-ylsulfanyl)butanedioic Acid (CAS 90324-04-2) is a chemical compound with molecular formula C9H8N4O4S and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7H-purin-6-ylsulfanyl)butanedioic acid
Also Known As: 2-(7H-purin-6-ylsulfanyl)butanedioic Acid, 2-[(7H-Purin-6-yl)sulfanyl]butanedioic acid
| Molecular Formula | C9H8N4O4S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 0.3729 |
| Topological Polar Surface Area | 129.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.0266 |
| Heavy Atoms | 18 |
| Complexity | 599.0201 |
Chemical Identifiers
| CAS Number | 90324-04-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SC(CC(=O)O)C(=O)O |
Product Overview
2-(7H-purin-6-ylsulfanyl)butanedioic Acid (CAS 90324-04-2), with molecular formula C9H8N4O4S and molecular weight 268.03 g/mol. IUPAC: 2-(7H-purin-6-ylsulfanyl)butanedioic acid.
Chemical Property Profile of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid
Property Insights of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid
The XLogP value of 0.3729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7H-purin-6-ylsulfanyl)butanedioic Acid. The TPSA of 129.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7H-purin-6-ylsulfanyl)butanedioic Acid. Following Lipinski's Rule of Five, 2-(7H-purin-6-ylsulfanyl)butanedioic Acid has 3 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-(7H-purin-6-ylsulfanyl)butanedioic Acid?
The CAS number of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid is 90324-04-2.
What is the molecular formula of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid?
The molecular formula of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid is C9H8N4O4S.
What is the molecular weight of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid?
The molecular weight of 2-(7H-purin-6-ylsulfanyl)butanedioic Acid is 268.03 g/mol.
Where can I buy 2-(7H-purin-6-ylsulfanyl)butanedioic Acid?
You can request a quote for 2-(7H-purin-6-ylsulfanyl)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-(7H-purin-6-ylsulfanyl)butanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(7H-purin-6-ylsulfanyl)butanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.