ChemDiv1_011261
TL;DR: ChemDiv1_011261 (CAS 311782-75-9) is a chemical compound with molecular formula C25H24FN3O4 and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_011261, 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1471/0064883, 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C25H24FN3O4 |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 4.15628 |
| Topological Polar Surface Area | 97.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.17508 |
| Heavy Atoms | 33 |
| Complexity | 1186.1432 |
Chemical Identifiers
| CAS Number | 311782-75-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N |
Product Overview
ChemDiv1_011261 (CAS 311782-75-9), with molecular formula C25H24FN3O4 and molecular weight 449.18 g/mol. IUPAC: 2-amino-1-(4-fluorophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011261
Property Insights of ChemDiv1_011261
The XLogP value of 4.15628 indicates that ChemDiv1_011261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011261. Following Lipinski's Rule of Five, ChemDiv1_011261 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_011261?
The CAS number of ChemDiv1_011261 is 311782-75-9.
What is the molecular formula of ChemDiv1_011261?
The molecular formula of ChemDiv1_011261 is C25H24FN3O4.
What is the molecular weight of ChemDiv1_011261?
The molecular weight of ChemDiv1_011261 is 449.18 g/mol.
Where can I buy ChemDiv1_011261?
You can request a quote for ChemDiv1_011261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011261?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.