ChemDiv1_022380
TL;DR: ChemDiv1_022380 (CAS 355822-32-1) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-cyano-2-(furan-2-carbonylamino)-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_022380, ethyl 6-cyano-2-[(furan-2-ylcarbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-cyano-2-(2-furylcarbonylamino)-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thio phene-3-carboxylate, ethyl 6-cyano-2-(furan-2-amido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 6-CYANO-2-(FURAN-2-AMIDO)-6-PHENYL-5,7-DIHYDRO-4H-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.72038 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 1112.2822 |
Chemical Identifiers
| CAS Number | 355822-32-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)(C#N)C3=CC=CC=C3)NC(=O)C4=CC=CO4 |
Product Overview
ChemDiv1_022380 (CAS 355822-32-1), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: ethyl 6-cyano-2-(furan-2-carbonylamino)-6-phenyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_022380
Property Insights of ChemDiv1_022380
The XLogP value of 4.72038 indicates that ChemDiv1_022380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022380. Following Lipinski's Rule of Five, ChemDiv1_022380 has 1 hydrogen bond donor(s) and 6 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_022380?
The CAS number of ChemDiv1_022380 is 355822-32-1.
What is the molecular formula of ChemDiv1_022380?
The molecular formula of ChemDiv1_022380 is C23H20N2O4S.
What is the molecular weight of ChemDiv1_022380?
The molecular weight of ChemDiv1_022380 is 420.11 g/mol.
Where can I buy ChemDiv1_022380?
You can request a quote for ChemDiv1_022380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022380?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.