AB00413537-08
TL;DR: AB00413537-08 (CAS 898201-92-8) is a chemical compound with molecular formula C19H21ClN4O4 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate
Also Known As: AB00413537-08, ethyl 4-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperazine-1-carboxylate, F2774-0334, ethyl 4-(2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C19H21ClN4O4 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 1.8644 |
| Topological Polar Surface Area | 84.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.12512 |
| Heavy Atoms | 28 |
| Complexity | 904.8948 |
Chemical Identifiers
| CAS Number | 898201-92-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl |
Product Overview
AB00413537-08 (CAS 898201-92-8), with molecular formula C19H21ClN4O4 and molecular weight 404.13 g/mol. IUPAC: ethyl 4-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of AB00413537-08
Property Insights of AB00413537-08
The XLogP value of 1.8644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00413537-08. The TPSA of 84.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00413537-08. Following Lipinski's Rule of Five, AB00413537-08 has 0 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 AB00413537-08?
The CAS number of AB00413537-08 is 898201-92-8.
What is the molecular formula of AB00413537-08?
The molecular formula of AB00413537-08 is C19H21ClN4O4.
What is the molecular weight of AB00413537-08?
The molecular weight of AB00413537-08 is 404.13 g/mol.
Where can I buy AB00413537-08?
You can request a quote for AB00413537-08 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00413537-08?
Yes, KEHONG BIO provides custom synthesis services for AB00413537-08 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.