![4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid structure](/static/products/4472/4472-02-0.webp)
4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid
TL;DR: 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid (CAS 4472-02-0) is a chemical compound with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-benzylsulfanylpurin-9-yl)pentanoylamino]-2-hydroxybenzoic acid
Also Known As: 4-({5-[6-(benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid, 4-[5-(6-benzylsulfanylpurin-9-yl)pentanoylamino]-2-hydroxybenzoic acid, 4-(5-(6-(Benzylthio)-9H-purin-9-yl)pentanamido)-2-hydroxybenzoic acid, 4-{5-[6-(Benzylsulfanyl)-9H-purin-9-yl]pentanamido}-2-hydroxybenzoic acid
| Molecular Formula | C24H23N5O4S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 477.14706 |
| Heavy Atoms | 34 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 4472-02-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCCC(=O)NC4=CC(=C(C=C4)C(=O)O)O |
| InChIKey | ZKNYGLOBXFZJHA-UHFFFAOYSA-N |
Product Overview
4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid (CAS 4472-02-0), with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol. IUPAC: 4-[5-(6-benzylsulfanylpurin-9-yl)pentanoylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid
Property Insights of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid
The XLogP value of 3.6 indicates that 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid has 3 hydrogen bond donor(s) and 8 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-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid?
The CAS number of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid is 4472-02-0.
What is the molecular formula of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid?
The molecular formula of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid is C24H23N5O4S.
What is the molecular weight of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid?
The molecular weight of 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid is 477.15 g/mol.
Where can I buy 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid?
You can request a quote for 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic 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-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({5-[6-(Benzylsulfanyl)-9h-purin-9-yl]pentanoyl}amino)-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.