ChemDiv1_008700
TL;DR: ChemDiv1_008700 (CAS 420100-03-4) is a chemical compound with molecular formula C27H28N2O5S and molecular weight 492.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008700, 2-(ethylsulfanyl)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-ethylthioethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
| Molecular Formula | C27H28N2O5S |
|---|---|
| Molecular Weight | 492.17 g/mol |
| LogP | 5.2527 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1719 |
| Heavy Atoms | 35 |
| Complexity | 1187.8121 |
Chemical Identifiers
| CAS Number | 420100-03-4 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_008700 (CAS 420100-03-4), with molecular formula C27H28N2O5S and molecular weight 492.17 g/mol. IUPAC: 2-ethylsulfanylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008700
Property Insights of ChemDiv1_008700
The XLogP value of 5.2527 indicates that ChemDiv1_008700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008700. Following Lipinski's Rule of Five, ChemDiv1_008700 has 1 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_008700?
The CAS number of ChemDiv1_008700 is 420100-03-4.
What is the molecular formula of ChemDiv1_008700?
The molecular formula of ChemDiv1_008700 is C27H28N2O5S.
What is the molecular weight of ChemDiv1_008700?
The molecular weight of ChemDiv1_008700 is 492.17 g/mol.
Where can I buy ChemDiv1_008700?
You can request a quote for ChemDiv1_008700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008700?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.