AB01301146-01
TL;DR: AB01301146-01 (CAS 851940-07-3) is a chemical compound with molecular formula C22H27ClN6O4 and molecular weight 474.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: AB01301146-01, ethyl 4-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate, ethyl 4-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, ethyl 4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, ethyl 4-((7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate
| Molecular Formula | C22H27ClN6O4 |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 1.4095 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.17822 |
| Heavy Atoms | 33 |
| Complexity | 1302.684 |
Chemical Identifiers
| CAS Number | 851940-07-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
AB01301146-01 (CAS 851940-07-3), with molecular formula C22H27ClN6O4 and molecular weight 474.18 g/mol. IUPAC: ethyl 4-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of AB01301146-01
Property Insights of AB01301146-01
The XLogP value of 1.4095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01301146-01. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301146-01. Following Lipinski's Rule of Five, AB01301146-01 has 0 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 AB01301146-01?
The CAS number of AB01301146-01 is 851940-07-3.
What is the molecular formula of AB01301146-01?
The molecular formula of AB01301146-01 is C22H27ClN6O4.
What is the molecular weight of AB01301146-01?
The molecular weight of AB01301146-01 is 474.18 g/mol.
Where can I buy AB01301146-01?
You can request a quote for AB01301146-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301146-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301146-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.