AB00680714-01
TL;DR: AB00680714-01 (CAS 898426-90-9) 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'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-pentyloxamide
Also Known As: AB00680714-01, F2666-0196, N'-{2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}-N-pentylethanediamide, N1-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-N2-pentyloxalamide, N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-pentyloxamide
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 1.7668 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 684.3317 |
Chemical Identifiers
| CAS Number | 898426-90-9 |
|---|---|
| SMILES | CCCCCNC(=O)C(=O)NC1=CC2=C3C(=C1)CC(=O)N3CCC2 |
Product Overview
AB00680714-01 (CAS 898426-90-9), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-pentyloxamide.
Chemical Property Profile of AB00680714-01
Property Insights of AB00680714-01
The XLogP value of 1.7668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680714-01. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680714-01. Following Lipinski's Rule of Five, AB00680714-01 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 AB00680714-01?
The CAS number of AB00680714-01 is 898426-90-9.
What is the molecular formula of AB00680714-01?
The molecular formula of AB00680714-01 is C18H23N3O3.
What is the molecular weight of AB00680714-01?
The molecular weight of AB00680714-01 is 329.17 g/mol.
Where can I buy AB00680714-01?
You can request a quote for AB00680714-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680714-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680714-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.