AB01289161-01
TL;DR: AB01289161-01 (CAS 851940-46-0) is a chemical compound with molecular formula C18H26N6O6 and molecular weight 422.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: AB01289161-01, ethyl 4-{[7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, ethyl 4-((7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate, ethyl 4-[[7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, methyl 2-(8-{[4-(ethoxycarbonyl)piperazinyl]methyl}-1,3-dimethyl-2,6-dioxo-1,3 ,7-trihydropurin-7-yl)acetate
| Molecular Formula | C18H26N6O6 |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | -1.1192 |
| Topological Polar Surface Area | 120.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.19138 |
| Heavy Atoms | 30 |
| Complexity | 1075.493 |
Chemical Identifiers
| CAS Number | 851940-46-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC(=O)OC)C(=O)N(C(=O)N3C)C |
Product Overview
AB01289161-01 (CAS 851940-46-0), with molecular formula C18H26N6O6 and molecular weight 422.19 g/mol. IUPAC: ethyl 4-[[7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of AB01289161-01
Property Insights of AB01289161-01
The XLogP value of -1.1192 indicates that AB01289161-01 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01289161-01. Following Lipinski's Rule of Five, AB01289161-01 has 0 hydrogen bond donor(s) and 8 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 AB01289161-01?
The CAS number of AB01289161-01 is 851940-46-0.
What is the molecular formula of AB01289161-01?
The molecular formula of AB01289161-01 is C18H26N6O6.
What is the molecular weight of AB01289161-01?
The molecular weight of AB01289161-01 is 422.19 g/mol.
Where can I buy AB01289161-01?
You can request a quote for AB01289161-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289161-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289161-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.