![2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid structure](/static/products/4991/499114-53-3.webp)
2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid
TL;DR: 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid (CAS 499114-53-3) is a chemical compound with molecular formula C16H17N5O3S and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid
Also Known As: ChemDiv2_005179, 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid, 4302AE, IDI1_003894, 2-((6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl)thio)propanoic acid
| Molecular Formula | C16H17N5O3S |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 2.0527 |
| Topological Polar Surface Area | 116.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.10522 |
| Heavy Atoms | 25 |
| Complexity | 884.1125 |
Chemical Identifiers
| CAS Number | 499114-53-3 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC2=C(N=CN=C2N1CCOC3=CC=CC=C3)N |
Product Overview
2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid (CAS 499114-53-3), with molecular formula C16H17N5O3S and molecular weight 359.11 g/mol. IUPAC: 2-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid
Property Insights of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid
The XLogP value of 2.0527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid. The TPSA of 116.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid. Following Lipinski's Rule of Five, 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid has 2 hydrogen bond donor(s) and 7 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-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid?
The CAS number of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid is 499114-53-3.
What is the molecular formula of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid?
The molecular formula of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid is C16H17N5O3S.
What is the molecular weight of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid?
The molecular weight of 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid is 359.11 g/mol.
Where can I buy 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid?
You can request a quote for 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic 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-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-Amino-9-(2-phenoxyethyl)-9H-purin-8-yl]-thio}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.