ChemDiv1_028645
TL;DR: ChemDiv1_028645 (CAS 370847-55-5) is a chemical compound with molecular formula C28H31N3O5S and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028645, ethyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate, ETHYL 5-CYANO-4-(2-ETHOXYPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, ethyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C28H31N3O5S |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 4.51034 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.1984 |
| Heavy Atoms | 37 |
| Complexity | 1257.8141 |
Chemical Identifiers
| CAS Number | 370847-55-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3C)C)C)C(=O)OCC |
Product Overview
ChemDiv1_028645 (CAS 370847-55-5), with molecular formula C28H31N3O5S and molecular weight 521.20 g/mol. IUPAC: ethyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028645
Property Insights of ChemDiv1_028645
The XLogP value of 4.51034 indicates that ChemDiv1_028645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028645. Following Lipinski's Rule of Five, ChemDiv1_028645 has 2 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_028645?
The CAS number of ChemDiv1_028645 is 370847-55-5.
What is the molecular formula of ChemDiv1_028645?
The molecular formula of ChemDiv1_028645 is C28H31N3O5S.
What is the molecular weight of ChemDiv1_028645?
The molecular weight of ChemDiv1_028645 is 521.20 g/mol.
Where can I buy ChemDiv1_028645?
You can request a quote for ChemDiv1_028645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.