4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid
TL;DR: 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid (CAS 6953-34-0) is a chemical compound with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid
Also Known As: 4-(6-Thioxo-1H-purin-9(6H)-yl)butanoic acid, 4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid, 4-(6-thioxo-3H-purin-9(6H)-yl)butanoic acid, 9H-Purine-9-butanoicacid,1,6-dihydro-6-thioxo, 9H-Purine-9-butanoicacid, 1,6-dihydro-6-thioxo-
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 1.35369 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 574.1378 |
Chemical Identifiers
| CAS Number | 6953-34-0 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CCCC(=O)O |
Product Overview
4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid (CAS 6953-34-0), with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol. IUPAC: 4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid.
Chemical Property Profile of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid
Property Insights of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid
The XLogP value of 1.35369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid has 2 hydrogen bond donor(s) and 4 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 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid?
The CAS number of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid is 6953-34-0.
What is the molecular formula of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid?
The molecular formula of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid is C9H10N4O2S.
What is the molecular weight of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid?
The molecular weight of 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid is 238.05 g/mol.
Where can I buy 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid?
You can request a quote for 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.