AB00435101-03
TL;DR: AB00435101-03 (CAS 868223-77-2) is a chemical compound with molecular formula C22H27N3O7 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[5-(2-ethoxy-2-oxoethoxy)-1-oxoisoquinolin-2-yl]acetyl]piperazine-1-carboxylate
Also Known As: AB00435101-03, AB00435101-10, F1808-0067, ethyl 4-(2-(5-(2-ethoxy-2-oxoethoxy)-1-oxoisoquinolin-2(1H)-yl)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[5-(2-ethoxy-2-oxoethoxy)-1-oxoisoquinolin-2-yl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C22H27N3O7 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 1.2441 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.1849 |
| Heavy Atoms | 32 |
| Complexity | 1041.4865 |
Chemical Identifiers
| CAS Number | 868223-77-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCN(CC3)C(=O)OCC |
Product Overview
AB00435101-03 (CAS 868223-77-2), with molecular formula C22H27N3O7 and molecular weight 445.18 g/mol. IUPAC: ethyl 4-[2-[5-(2-ethoxy-2-oxoethoxy)-1-oxoisoquinolin-2-yl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of AB00435101-03
Property Insights of AB00435101-03
The XLogP value of 1.2441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00435101-03. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00435101-03. Following Lipinski's Rule of Five, AB00435101-03 has 0 hydrogen bond donor(s) and 7 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 AB00435101-03?
The CAS number of AB00435101-03 is 868223-77-2.
What is the molecular formula of AB00435101-03?
The molecular formula of AB00435101-03 is C22H27N3O7.
What is the molecular weight of AB00435101-03?
The molecular weight of AB00435101-03 is 445.18 g/mol.
Where can I buy AB00435101-03?
You can request a quote for AB00435101-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00435101-03?
Yes, KEHONG BIO provides custom synthesis services for AB00435101-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.