AB00674861-01
TL;DR: AB00674861-01 (CAS 866346-53-4) is a chemical compound with molecular formula C22H19ClFN3O2 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
Also Known As: AB00674861-01, F1602-0648, N-(3-chloro-4-fluorophenyl)-11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxamide, N-(3-chloro-4-fluorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide, N-(3-chloro-4-fluorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
| Molecular Formula | C22H19ClFN3O2 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 4.65587 |
| Topological Polar Surface Area | 69.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.115 |
| Heavy Atoms | 29 |
| Complexity | 1218.8834 |
Chemical Identifiers
| CAS Number | 866346-53-4 |
|---|---|
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=N)O4)C(=O)NC5=CC(=C(C=C5)F)Cl)CCCN3C1 |
Product Overview
AB00674861-01 (CAS 866346-53-4), with molecular formula C22H19ClFN3O2 and molecular weight 411.12 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.
Chemical Property Profile of AB00674861-01
Property Insights of AB00674861-01
The XLogP value of 4.65587 indicates that AB00674861-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00674861-01. Following Lipinski's Rule of Five, AB00674861-01 has 2 hydrogen bond donor(s) and 4 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 AB00674861-01?
The CAS number of AB00674861-01 is 866346-53-4.
What is the molecular formula of AB00674861-01?
The molecular formula of AB00674861-01 is C22H19ClFN3O2.
What is the molecular weight of AB00674861-01?
The molecular weight of AB00674861-01 is 411.12 g/mol.
Where can I buy AB00674861-01?
You can request a quote for AB00674861-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674861-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674861-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.