AB00392780-04
TL;DR: AB00392780-04 (CAS 893969-94-3) is a chemical compound with molecular formula C21H25ClN6O3 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide
Also Known As: AB00392780-04, AB00392780-09, 1-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide, F1890-0009, 1-((7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide
| Molecular Formula | C21H25ClN6O3 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.16766 |
| Heavy Atoms | 31 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 893969-94-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)C(=O)N)CC4=CC=CC=C4Cl |
| InChIKey | GPXDPLLLCRTYGX-UHFFFAOYSA-N |
Product Overview
AB00392780-04 (CAS 893969-94-3), with molecular formula C21H25ClN6O3 and molecular weight 444.17 g/mol. IUPAC: 1-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide.
Chemical Property Profile of AB00392780-04
Property Insights of AB00392780-04
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00392780-04. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00392780-04. Following Lipinski's Rule of Five, AB00392780-04 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 AB00392780-04?
The CAS number of AB00392780-04 is 893969-94-3.
What is the molecular formula of AB00392780-04?
The molecular formula of AB00392780-04 is C21H25ClN6O3.
What is the molecular weight of AB00392780-04?
The molecular weight of AB00392780-04 is 444.17 g/mol.
Where can I buy AB00392780-04?
You can request a quote for AB00392780-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00392780-04?
Yes, KEHONG BIO provides custom synthesis services for AB00392780-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.