3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide
TL;DR: 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide (CAS 57998-19-3) is a chemical compound with molecular formula C16H16N6O and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-aminopurin-9-yl)-N-(4-ethenylphenyl)propanamide
Also Known As: 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide, 3-(6-aminopurin-9-yl)-N-(4-ethenylphenyl)propanamide, N-(4-Vinylphenyl)-3-(6-amino-9H-purin-9-yl)propionamide
| Molecular Formula | C16H16N6O |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.13855 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 57998-19-3 |
|---|---|
| SMILES | C=CC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(N=CN=C32)N |
| InChIKey | PJUGSYROZVDTHX-UHFFFAOYSA-N |
Product Overview
3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide (CAS 57998-19-3), with molecular formula C16H16N6O and molecular weight 308.14 g/mol. IUPAC: 3-(6-aminopurin-9-yl)-N-(4-ethenylphenyl)propanamide.
Chemical Property Profile of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide
Property Insights of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide. Following Lipinski's Rule of Five, 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide has 2 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 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide?
The CAS number of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide is 57998-19-3.
What is the molecular formula of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide?
The molecular formula of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide is C16H16N6O.
What is the molecular weight of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide?
The molecular weight of 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide is 308.14 g/mol.
Where can I buy 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide?
You can request a quote for 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Amino-9H-purin-9-yl)-N-(4-ethenylphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.