AB00680726-01
TL;DR: AB00680726-01 (CAS 898427-08-2) is a chemical compound with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
Also Known As: AB00680726-01, F2666-0230, N1-isobutyl-N2-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide, N-(2-methylpropyl)-N'-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}ethanediamide, N-(2-methylpropyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
| Molecular Formula | C17H21N3O3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 1.2326 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.1583 |
| Heavy Atoms | 23 |
| Complexity | 681.9063 |
Chemical Identifiers
| CAS Number | 898427-08-2 |
|---|---|
| SMILES | CC(C)CNC(=O)C(=O)NC1=CC2=C3C(=C1)CC(=O)N3CCC2 |
Product Overview
AB00680726-01 (CAS 898427-08-2), with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol. IUPAC: N-(2-methylpropyl)-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide.
Chemical Property Profile of AB00680726-01
Property Insights of AB00680726-01
The XLogP value of 1.2326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680726-01. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680726-01. Following Lipinski's Rule of Five, AB00680726-01 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 AB00680726-01?
The CAS number of AB00680726-01 is 898427-08-2.
What is the molecular formula of AB00680726-01?
The molecular formula of AB00680726-01 is C17H21N3O3.
What is the molecular weight of AB00680726-01?
The molecular weight of AB00680726-01 is 315.16 g/mol.
Where can I buy AB00680726-01?
You can request a quote for AB00680726-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680726-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680726-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.