ChemDiv1_028787
TL;DR: ChemDiv1_028787 (CAS 369394-03-6) is a chemical compound with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028787, methyl 5-cyano-6-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 5-CYANO-6-({[(3,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(2-METHOXYPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C25H25N3O5S |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 3.42172 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.1515 |
| Heavy Atoms | 34 |
| Complexity | 1201.2776 |
Chemical Identifiers
| CAS Number | 369394-03-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3OC)C#N)C |
Product Overview
ChemDiv1_028787 (CAS 369394-03-6), with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol. IUPAC: methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028787
Property Insights of ChemDiv1_028787
The XLogP value of 3.42172 indicates that ChemDiv1_028787 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_028787. Following Lipinski's Rule of Five, ChemDiv1_028787 has 2 hydrogen bond donor(s) and 7 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_028787?
The CAS number of ChemDiv1_028787 is 369394-03-6.
What is the molecular formula of ChemDiv1_028787?
The molecular formula of ChemDiv1_028787 is C25H25N3O5S.
What is the molecular weight of ChemDiv1_028787?
The molecular weight of ChemDiv1_028787 is 479.15 g/mol.
Where can I buy ChemDiv1_028787?
You can request a quote for ChemDiv1_028787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028787?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.