Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-
TL;DR: Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- (CAS 80613-33-8) is a chemical compound with molecular formula C17H21N7O and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[3-(6-aminopurin-9-yl)propyl]-3-phenylpropanamide
Also Known As: Nicogrelate, 2-amino-N-[3-(6-aminopurin-9-yl)propyl]-3-phenylpropanamide, Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-, 2-Amino-N-[3-(6-amino-9H-purin-9-yl)propyl]-3-phenylpropanimidic acid
| Molecular Formula | C17H21N7O |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.18076 |
| Heavy Atoms | 25 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 80613-33-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)NCCCN2C=NC3=C(N=CN=C32)N)N |
| InChIKey | ZIEUZDRPZIFQRT-UHFFFAOYSA-N |
Product Overview
Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- (CAS 80613-33-8), with molecular formula C17H21N7O and molecular weight 339.18 g/mol. IUPAC: 2-amino-N-[3-(6-aminopurin-9-yl)propyl]-3-phenylpropanamide.
Chemical Property Profile of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-
Property Insights of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-. Following Lipinski's Rule of Five, Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- has 3 hydrogen bond donor(s) and 6 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 Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-?
The CAS number of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- is 80613-33-8.
What is the molecular formula of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-?
The molecular formula of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- is C17H21N7O.
What is the molecular weight of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-?
The molecular weight of Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- is 339.18 g/mol.
Where can I buy Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-?
You can request a quote for Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanamide, alpha-amino-N-(3-(6-amino-9H-purin-9-yl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.