![4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid structure](/static/products/4323/4323-02-8.webp)
4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid
TL;DR: 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid (CAS 4323-02-8) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid
Also Known As: NCIOpen2_009726, 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid, 4-[5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanamido]benzoic acid
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.99609 |
| Topological Polar Surface Area | 112.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 993.551 |
Chemical Identifiers
| CAS Number | 4323-02-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)CCCCN2C=NC3=C2NC=NC3=S |
Product Overview
4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid (CAS 4323-02-8), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid.
Chemical Property Profile of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid
Property Insights of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid
The XLogP value of 2.99609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid. The TPSA of 112.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid has 3 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 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid?
The CAS number of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid is 4323-02-8.
What is the molecular formula of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid?
The molecular formula of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid is C17H17N5O3S.
What is the molecular weight of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid?
The molecular weight of 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid is 371.11 g/mol.
Where can I buy 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid?
You can request a quote for 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]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-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(6-sulfanylidene-3H-purin-9-yl)pentanoylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.