ChemDiv1_011106
TL;DR: ChemDiv1_011106 (CAS 311326-54-2) is a chemical compound with molecular formula C23H17F3N2O2 and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: ChemDiv1_011106, BAS 00746993, AB01326175-02, A1283/0058574, 2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C23H17F3N2O2 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 4.91388 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.1242 |
| Heavy Atoms | 30 |
| Complexity | 1111.2584 |
Chemical Identifiers
| CAS Number | 311326-54-2 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1OC(=C(C2C3=CC=CC=C3C(F)(F)F)C#N)N)C4=CC=CC=C4 |
Product Overview
ChemDiv1_011106 (CAS 311326-54-2), with molecular formula C23H17F3N2O2 and molecular weight 410.12 g/mol. IUPAC: 2-amino-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011106
Property Insights of ChemDiv1_011106
The XLogP value of 4.91388 indicates that ChemDiv1_011106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011106. Following Lipinski's Rule of Five, ChemDiv1_011106 has 1 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 ChemDiv1_011106?
The CAS number of ChemDiv1_011106 is 311326-54-2.
What is the molecular formula of ChemDiv1_011106?
The molecular formula of ChemDiv1_011106 is C23H17F3N2O2.
What is the molecular weight of ChemDiv1_011106?
The molecular weight of ChemDiv1_011106 is 410.12 g/mol.
Where can I buy ChemDiv1_011106?
You can request a quote for ChemDiv1_011106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011106?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.