AB00680801-01
TL;DR: AB00680801-01 (CAS 898411-92-2) is a chemical compound with molecular formula C19H17ClN2O2 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzamide
Also Known As: AB00680801-01, F2668-0038, 4-chloro-N-{2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-7-yl}benzamide, 4-Chloro-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzamide, 4-chloro-N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)benzamide
| Molecular Formula | C19H17ClN2O2 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.8177 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.09787 |
| Heavy Atoms | 24 |
| Complexity | 812.7556 |
Chemical Identifiers
| CAS Number | 898411-92-2 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)NC(=O)C4=CC=C(C=C4)Cl)CCC(=O)N3C1 |
Product Overview
AB00680801-01 (CAS 898411-92-2), with molecular formula C19H17ClN2O2 and molecular weight 340.10 g/mol. IUPAC: 4-chloro-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzamide.
Chemical Property Profile of AB00680801-01
Property Insights of AB00680801-01
The XLogP value of 3.8177 indicates that AB00680801-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00680801-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00680801-01 has 1 hydrogen bond donor(s) and 2 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 AB00680801-01?
The CAS number of AB00680801-01 is 898411-92-2.
What is the molecular formula of AB00680801-01?
The molecular formula of AB00680801-01 is C19H17ClN2O2.
What is the molecular weight of AB00680801-01?
The molecular weight of AB00680801-01 is 340.10 g/mol.
Where can I buy AB00680801-01?
You can request a quote for AB00680801-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680801-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680801-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.