AB00397683-05
TL;DR: AB00397683-05 (CAS 893970-33-7) is a chemical compound with molecular formula C21H25FN6O3 and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide
Also Known As: AB00397683-05, AB00397683-10, F1890-0014, 1-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide, 1-((7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide
| Molecular Formula | C21H25FN6O3 |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1972 |
| Heavy Atoms | 31 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 893970-33-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)C(=O)N)CC4=CC=CC=C4F |
| InChIKey | ALQDAGWCEIOMDA-UHFFFAOYSA-N |
Product Overview
AB00397683-05 (CAS 893970-33-7), with molecular formula C21H25FN6O3 and molecular weight 428.20 g/mol. IUPAC: 1-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidine-4-carboxamide.
Chemical Property Profile of AB00397683-05
Property Insights of AB00397683-05
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00397683-05. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00397683-05. Following Lipinski's Rule of Five, AB00397683-05 has 1 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 AB00397683-05?
The CAS number of AB00397683-05 is 893970-33-7.
What is the molecular formula of AB00397683-05?
The molecular formula of AB00397683-05 is C21H25FN6O3.
What is the molecular weight of AB00397683-05?
The molecular weight of AB00397683-05 is 428.20 g/mol.
Where can I buy AB00397683-05?
You can request a quote for AB00397683-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00397683-05?
Yes, KEHONG BIO provides custom synthesis services for AB00397683-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.