2-(6-sulfanylidene-3H-purin-9-yl)acetic acid
TL;DR: 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid (CAS 34396-99-1) is a chemical compound with molecular formula C7H6N4O2S and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-sulfanylidene-3H-purin-9-yl)acetic acid
Also Known As: 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid, (6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)acetic acid
| Molecular Formula | C7H6N4O2S |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 0.57349 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.02115 |
| Heavy Atoms | 14 |
| Complexity | 543.8585 |
Chemical Identifiers
| CAS Number | 34396-99-1 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)CC(=O)O |
Product Overview
2-(6-sulfanylidene-3H-purin-9-yl)acetic acid (CAS 34396-99-1), with molecular formula C7H6N4O2S and molecular weight 210.02 g/mol. IUPAC: 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid.
Chemical Property Profile of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid
Property Insights of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid
The XLogP value of 0.57349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid. Following Lipinski's Rule of Five, 2-(6-sulfanylidene-3H-purin-9-yl)acetic 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 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid?
The CAS number of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid is 34396-99-1.
What is the molecular formula of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid?
The molecular formula of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid is C7H6N4O2S.
What is the molecular weight of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid?
The molecular weight of 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid is 210.02 g/mol.
Where can I buy 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid?
You can request a quote for 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-sulfanylidene-3H-purin-9-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.