N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
TL;DR: N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (CAS 879586-19-3) is a chemical compound with molecular formula C16H16ClN5O3 and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
Also Known As: ASN 13314356, AB01282364-01, N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide, N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide, 3-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(2-chlorophenyl)propana mide
| Molecular Formula | C16H16ClN5O3 |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 1.1159 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.09418 |
| Heavy Atoms | 25 |
| Complexity | 1079.5442 |
Chemical Identifiers
| CAS Number | 879586-19-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3Cl |
Product Overview
N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (CAS 879586-19-3), with molecular formula C16H16ClN5O3 and molecular weight 361.09 g/mol. IUPAC: N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.
Chemical Property Profile of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
Property Insights of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
The XLogP value of 1.1159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide has 1 hydrogen bond donor(s) and 4 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 N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The CAS number of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is 879586-19-3.
What is the molecular formula of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The molecular formula of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is C16H16ClN5O3.
What is the molecular weight of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The molecular weight of N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is 361.09 g/mol.
Where can I buy N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
You can request a quote for N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.