ChemDiv1_000547
TL;DR: ChemDiv1_000547 (CAS 313668-72-3) is a chemical compound with molecular formula C21H20F3N3O2 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-2-[4-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
Also Known As: ChemDiv1_000547, (Z)-7-(diethylamino)-2-((4-(trifluoromethyl)phenyl)imino)-2H-chromene-3-carboxamide, 7-(diethylamino)-2-[4-(trifluoromethyl)phenyl]iminochromene-3-carboxamide, F0150-0046, (2Z)-7-(diethylamino)-2-{[4-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
| Molecular Formula | C21H20F3N3O2 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 4.6291 |
| Topological Polar Surface Area | 71.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.15076 |
| Heavy Atoms | 29 |
| Complexity | 1098.8398 |
Chemical Identifiers
| CAS Number | 313668-72-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)C(F)(F)F)O2)C(=O)N |
Product Overview
ChemDiv1_000547 (CAS 313668-72-3), with molecular formula C21H20F3N3O2 and molecular weight 403.15 g/mol. IUPAC: 7-(diethylamino)-2-[4-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
Chemical Property Profile of ChemDiv1_000547
Property Insights of ChemDiv1_000547
The XLogP value of 4.6291 indicates that ChemDiv1_000547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000547. Following Lipinski's Rule of Five, ChemDiv1_000547 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_000547?
The CAS number of ChemDiv1_000547 is 313668-72-3.
What is the molecular formula of ChemDiv1_000547?
The molecular formula of ChemDiv1_000547 is C21H20F3N3O2.
What is the molecular weight of ChemDiv1_000547?
The molecular weight of ChemDiv1_000547 is 403.15 g/mol.
Where can I buy ChemDiv1_000547?
You can request a quote for ChemDiv1_000547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000547?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.