AB00680709-01
TL;DR: AB00680709-01 (CAS 898454-66-5) is a chemical compound with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
Also Known As: AB00680709-01, F2666-0190, N1-isopentyl-N2-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide, N-(3-methylbutyl)-N'-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide, N-(3-methylbutyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 1.6227 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 696.99457 |
Chemical Identifiers
| CAS Number | 898454-66-5 |
|---|---|
| SMILES | CC(C)CCNC(=O)C(=O)NC1=CC2=C3C(=C1)CC(=O)N3CCC2 |
Product Overview
AB00680709-01 (CAS 898454-66-5), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: N-(3-methylbutyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide.
Chemical Property Profile of AB00680709-01
Property Insights of AB00680709-01
The XLogP value of 1.6227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680709-01. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680709-01. Following Lipinski's Rule of Five, AB00680709-01 has 2 hydrogen bond donor(s) and 3 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 AB00680709-01?
The CAS number of AB00680709-01 is 898454-66-5.
What is the molecular formula of AB00680709-01?
The molecular formula of AB00680709-01 is C18H23N3O3.
What is the molecular weight of AB00680709-01?
The molecular weight of AB00680709-01 is 329.17 g/mol.
Where can I buy AB00680709-01?
You can request a quote for AB00680709-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680709-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680709-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.