ChemDiv1_010709
TL;DR: ChemDiv1_010709 (CAS 290299-70-6) is a chemical compound with molecular formula C22H17FN2O3S2 and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ChemDiv1_010709, A0236/0010638, ethyl 4-((3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate, ethyl 4-{[3-cyano-4-(4-fluorophenyl)-6-thien-2-ylpyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C22H17FN2O3S2 |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 5.10228 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.06647 |
| Heavy Atoms | 30 |
| Complexity | 1090.8156 |
Chemical Identifiers
| CAS Number | 290299-70-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C#N |
Product Overview
ChemDiv1_010709 (CAS 290299-70-6), with molecular formula C22H17FN2O3S2 and molecular weight 440.07 g/mol. IUPAC: ethyl 4-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ChemDiv1_010709
Property Insights of ChemDiv1_010709
The XLogP value of 5.10228 indicates that ChemDiv1_010709 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_010709. Following Lipinski's Rule of Five, ChemDiv1_010709 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010709?
The CAS number of ChemDiv1_010709 is 290299-70-6.
What is the molecular formula of ChemDiv1_010709?
The molecular formula of ChemDiv1_010709 is C22H17FN2O3S2.
What is the molecular weight of ChemDiv1_010709?
The molecular weight of ChemDiv1_010709 is 440.07 g/mol.
Where can I buy ChemDiv1_010709?
You can request a quote for ChemDiv1_010709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010709?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.