ChemDiv1_017821
TL;DR: ChemDiv1_017821 (CAS 290299-68-2) is a chemical compound with molecular formula C17H13F3N2O3S2 and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ChemDiv1_017821, BAS 01107934, A0278/0012631, ethyl 4-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate, ethyl 4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-3-oxobutanoate
| Molecular Formula | C17H13F3N2O3S2 |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 4.31498 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.03198 |
| Heavy Atoms | 27 |
| Complexity | 874.7793 |
Chemical Identifiers
| CAS Number | 290299-68-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N |
Product Overview
ChemDiv1_017821 (CAS 290299-68-2), with molecular formula C17H13F3N2O3S2 and molecular weight 414.03 g/mol. IUPAC: ethyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ChemDiv1_017821
Property Insights of ChemDiv1_017821
The XLogP value of 4.31498 indicates that ChemDiv1_017821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017821. Following Lipinski's Rule of Five, ChemDiv1_017821 has 0 hydrogen bond donor(s) and 7 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_017821?
The CAS number of ChemDiv1_017821 is 290299-68-2.
What is the molecular formula of ChemDiv1_017821?
The molecular formula of ChemDiv1_017821 is C17H13F3N2O3S2.
What is the molecular weight of ChemDiv1_017821?
The molecular weight of ChemDiv1_017821 is 414.03 g/mol.
Where can I buy ChemDiv1_017821?
You can request a quote for ChemDiv1_017821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017821?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.