ChemDiv1_028695
TL;DR: ChemDiv1_028695 (CAS 370844-39-6) is a chemical compound with molecular formula C27H29N3O5S and molecular weight 507.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028695, ethyl 5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ETHYL 5-CYANO-6-({[(2,6-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(2-ETHOXYPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C27H29N3O5S |
|---|---|
| Molecular Weight | 507.18 g/mol |
| LogP | 4.20192 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.1828 |
| Heavy Atoms | 36 |
| Complexity | 1213.9052 |
Chemical Identifiers
| CAS Number | 370844-39-6 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=CC=C3C)C)C(=O)OCC |
Product Overview
ChemDiv1_028695 (CAS 370844-39-6), with molecular formula C27H29N3O5S and molecular weight 507.18 g/mol. IUPAC: ethyl 5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028695
Property Insights of ChemDiv1_028695
The XLogP value of 4.20192 indicates that ChemDiv1_028695 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_028695. Following Lipinski's Rule of Five, ChemDiv1_028695 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_028695?
The CAS number of ChemDiv1_028695 is 370844-39-6.
What is the molecular formula of ChemDiv1_028695?
The molecular formula of ChemDiv1_028695 is C27H29N3O5S.
What is the molecular weight of ChemDiv1_028695?
The molecular weight of ChemDiv1_028695 is 507.18 g/mol.
Where can I buy ChemDiv1_028695?
You can request a quote for ChemDiv1_028695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028695?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.