ChemDiv1_012447
TL;DR: ChemDiv1_012447 (CAS 313245-33-9) is a chemical compound with molecular formula C23H22F3N3O3 and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
Also Known As: ChemDiv1_012447, (2Z)-6-methoxy-2-{[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide, 6-methoxy-2-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
| Molecular Formula | C23H22F3N3O3 |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.7818 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.16132 |
| Heavy Atoms | 32 |
| Complexity | 1228.6094 |
Chemical Identifiers
| CAS Number | 313245-33-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4)C(=C2)C(=O)N |
Product Overview
ChemDiv1_012447 (CAS 313245-33-9), with molecular formula C23H22F3N3O3 and molecular weight 445.16 g/mol. IUPAC: 6-methoxy-2-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_012447
Property Insights of ChemDiv1_012447
The XLogP value of 4.7818 indicates that ChemDiv1_012447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012447. Following Lipinski's Rule of Five, ChemDiv1_012447 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_012447?
The CAS number of ChemDiv1_012447 is 313245-33-9.
What is the molecular formula of ChemDiv1_012447?
The molecular formula of ChemDiv1_012447 is C23H22F3N3O3.
What is the molecular weight of ChemDiv1_012447?
The molecular weight of ChemDiv1_012447 is 445.16 g/mol.
Where can I buy ChemDiv1_012447?
You can request a quote for ChemDiv1_012447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012447?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.