ChemDiv1_017912
TL;DR: ChemDiv1_017912 (CAS 311326-69-9) is a chemical compound with molecular formula C22H17F3N2O3 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_017912, benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate, A1285/0058630, benzyl 6-amino-5-cyano-2-methyl-4-(4-(trifluoromethyl)phenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C22H17F3N2O3 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 4.53048 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.11914 |
| Heavy Atoms | 30 |
| Complexity | 1049.7756 |
Chemical Identifiers
| CAS Number | 311326-69-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3 |
Product Overview
ChemDiv1_017912 (CAS 311326-69-9), with molecular formula C22H17F3N2O3 and molecular weight 414.12 g/mol. IUPAC: benzyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_017912
Property Insights of ChemDiv1_017912
The XLogP value of 4.53048 indicates that ChemDiv1_017912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017912. Following Lipinski's Rule of Five, ChemDiv1_017912 has 1 hydrogen bond donor(s) and 5 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_017912?
The CAS number of ChemDiv1_017912 is 311326-69-9.
What is the molecular formula of ChemDiv1_017912?
The molecular formula of ChemDiv1_017912 is C22H17F3N2O3.
What is the molecular weight of ChemDiv1_017912?
The molecular weight of ChemDiv1_017912 is 414.12 g/mol.
Where can I buy ChemDiv1_017912?
You can request a quote for ChemDiv1_017912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017912?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.