AB01304779-01
TL;DR: AB01304779-01 (CAS 862979-70-2) is a chemical compound with molecular formula C21H24ClFN6O4 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: AB01304779-01, ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, ETHYL 4-({7-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}METHYL)PIPERAZINE-1-CARBOXYLATE, ethyl 4-({7-[(6-chloro-2-fluorophenyl)methyl]-3-methyl-2,6-dioxo-1,3,7-trihydr opurin-8-yl}methyl)piperazinecarboxylate, ethyl 4-{[7-(2-chloro-6-fluorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
| Molecular Formula | C21H24ClFN6O4 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 1.5382 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.15317 |
| Heavy Atoms | 33 |
| Complexity | 1288.3027 |
Chemical Identifiers
| CAS Number | 862979-70-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C |
Product Overview
AB01304779-01 (CAS 862979-70-2), with molecular formula C21H24ClFN6O4 and molecular weight 478.15 g/mol. IUPAC: ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of AB01304779-01
Property Insights of AB01304779-01
The XLogP value of 1.5382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01304779-01. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304779-01. Following Lipinski's Rule of Five, AB01304779-01 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 AB01304779-01?
The CAS number of AB01304779-01 is 862979-70-2.
What is the molecular formula of AB01304779-01?
The molecular formula of AB01304779-01 is C21H24ClFN6O4.
What is the molecular weight of AB01304779-01?
The molecular weight of AB01304779-01 is 478.15 g/mol.
Where can I buy AB01304779-01?
You can request a quote for AB01304779-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304779-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304779-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.