ChemDiv1_005149
TL;DR: ChemDiv1_005149 (CAS 309732-36-3) is a chemical compound with molecular formula C28H30ClN3O4S and molecular weight 539.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_005149, A2242/0094395, tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, F0763-0071, TERT-BUTYL 4-(4-CHLOROPHENYL)-5-CYANO-6-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C28H30ClN3O4S |
|---|---|
| Molecular Weight | 539.16 g/mol |
| LogP | 6.14828 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.16455 |
| Heavy Atoms | 37 |
| Complexity | 1256.3179 |
Chemical Identifiers
| CAS Number | 309732-36-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C#N |
Product Overview
ChemDiv1_005149 (CAS 309732-36-3), with molecular formula C28H30ClN3O4S and molecular weight 539.16 g/mol. IUPAC: tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_005149
Property Insights of ChemDiv1_005149
The XLogP value of 6.14828 indicates that ChemDiv1_005149 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005149. Following Lipinski's Rule of Five, ChemDiv1_005149 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_005149?
The CAS number of ChemDiv1_005149 is 309732-36-3.
What is the molecular formula of ChemDiv1_005149?
The molecular formula of ChemDiv1_005149 is C28H30ClN3O4S.
What is the molecular weight of ChemDiv1_005149?
The molecular weight of ChemDiv1_005149 is 539.16 g/mol.
Where can I buy ChemDiv1_005149?
You can request a quote for ChemDiv1_005149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005149?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.