![4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid structure](/static/products/1775/17756-30-8.webp)
4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid
TL;DR: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid (CAS 17756-30-8) is a chemical compound with molecular formula C13H10N4O2S and molecular weight 286.05 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)methyl]benzoic acid
Also Known As: NCIOpen2_003933, 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid, 4-[(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)methyl]benzoic acid
| Molecular Formula | C13H10N4O2S |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.23539 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05246 |
| Heavy Atoms | 20 |
| Complexity | 835.4485 |
Chemical Identifiers
| CAS Number | 17756-30-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)C(=O)O |
Product Overview
4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid (CAS 17756-30-8), with molecular formula C13H10N4O2S and molecular weight 286.05 g/mol. IUPAC: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid
Property Insights of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid
The XLogP value of 2.23539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic 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-3H-purin-9-yl)methyl]benzoic acid?
The CAS number of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid is 17756-30-8.
What is the molecular formula of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid?
The molecular formula of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid is C13H10N4O2S.
What is the molecular weight of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid?
The molecular weight of 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid is 286.05 g/mol.
Where can I buy 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid?
You can request a quote for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic 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-3H-purin-9-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.