N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide
TL;DR: N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide (CAS 565165-63-1) is a chemical compound with molecular formula C27H22ClN5O3 and molecular weight 499.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetamide
Also Known As: N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide, N-(3-chlorophenyl)-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetamide, N-(3-chlorophenyl)-2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)acetamide, N-(3-chlorophenyl)-2-(3,7-dibenzyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
| Molecular Formula | C27H22ClN5O3 |
|---|---|
| Molecular Weight | 499.14 g/mol |
| LogP | 3.7484 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.1411 |
| Heavy Atoms | 36 |
| Complexity | 1656.4738 |
Chemical Identifiers
| CAS Number | 565165-63-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=CC(=CC=C5)Cl |
Product Overview
N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide (CAS 565165-63-1), with molecular formula C27H22ClN5O3 and molecular weight 499.14 g/mol. IUPAC: N-(3-chlorophenyl)-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetamide.
Chemical Property Profile of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide
Property Insights of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide
The XLogP value of 3.7484 indicates that N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide 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-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide?
The CAS number of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide is 565165-63-1.
What is the molecular formula of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide?
The molecular formula of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide is C27H22ClN5O3.
What is the molecular weight of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide?
The molecular weight of N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide is 499.14 g/mol.
Where can I buy N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide?
You can request a quote for N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-3,7-bis(phenylmethyl)-1H-purine-1-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.