![1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide structure](/static/products/585/585555-20-0.png)
1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
TL;DR: 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide (CAS 585555-20-0) is a chemical compound with molecular formula C20H23ClN6O3 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide, 1-(1-(4-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, 1-[1-(4-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-4-carboxamide
| Molecular Formula | C20H23ClN6O3 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.152 |
| Heavy Atoms | 30 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 585555-20-0 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C |
| InChIKey | SHCDMMPFJOFMLL-UHFFFAOYSA-N |
Product Overview
1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide (CAS 585555-20-0), with molecular formula C20H23ClN6O3 and molecular weight 430.15 g/mol. IUPAC: 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Property Insights of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide has 1 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 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
The CAS number of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide is 585555-20-0.
What is the molecular formula of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
The molecular formula of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide is C20H23ClN6O3.
What is the molecular weight of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
The molecular weight of 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide is 430.15 g/mol.
Where can I buy 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
You can request a quote for 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[(4-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.