AB00680094-01
TL;DR: AB00680094-01 (CAS 898457-48-2) is a chemical compound with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00680094-01, F2621-0676, 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide, N-(5-methyl-3-isoxazolyl)[2-(2-ethoxyethyl)-1-oxo-1,2-dihydro-5-isoquinolyloxy]acetamide, 2-((2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)-N-(5-methylisoxazol-3-yl)acetamide
| Molecular Formula | C19H21N3O5 |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 2.35192 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.14813 |
| Heavy Atoms | 27 |
| Complexity | 992.41895 |
Chemical Identifiers
| CAS Number | 898457-48-2 |
|---|---|
| SMILES | CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=NOC(=C3)C |
Product Overview
AB00680094-01 (CAS 898457-48-2), with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol. IUPAC: 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00680094-01
Property Insights of AB00680094-01
The XLogP value of 2.35192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680094-01. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680094-01. Following Lipinski's Rule of Five, AB00680094-01 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 AB00680094-01?
The CAS number of AB00680094-01 is 898457-48-2.
What is the molecular formula of AB00680094-01?
The molecular formula of AB00680094-01 is C19H21N3O5.
What is the molecular weight of AB00680094-01?
The molecular weight of AB00680094-01 is 371.15 g/mol.
Where can I buy AB00680094-01?
You can request a quote for AB00680094-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680094-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680094-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.