ChemDiv1_011108
TL;DR: ChemDiv1_011108 (CAS 304878-44-2) is a chemical compound with molecular formula C17H15F3N2O3 and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_011108, BAS 00862397, AB01318890-02, ethyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate, A1285/0058631
| Molecular Formula | C17H15F3N2O3 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 3.35018 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1035 |
| Heavy Atoms | 25 |
| Complexity | 786.8415 |
Chemical Identifiers
| CAS Number | 304878-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(F)(F)F)C#N)N)C |
Product Overview
ChemDiv1_011108 (CAS 304878-44-2), with molecular formula C17H15F3N2O3 and molecular weight 352.10 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_011108
Property Insights of ChemDiv1_011108
The XLogP value of 3.35018 indicates that ChemDiv1_011108 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_011108. Following Lipinski's Rule of Five, ChemDiv1_011108 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_011108?
The CAS number of ChemDiv1_011108 is 304878-44-2.
What is the molecular formula of ChemDiv1_011108?
The molecular formula of ChemDiv1_011108 is C17H15F3N2O3.
What is the molecular weight of ChemDiv1_011108?
The molecular weight of ChemDiv1_011108 is 352.10 g/mol.
Where can I buy ChemDiv1_011108?
You can request a quote for ChemDiv1_011108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011108?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.