Sadopine
TL;DR: Sadopine (CAS 111127-62-9) is a chemical compound with molecular formula C30H40F3N3O7S and molecular weight 643.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethyl] 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Sadopine, (1,4-Dihydro-2,6-dimethyl-4-(2-trifluoromethylphenyl)pyridine-3,5-dicarboxyl-3-(2-(N-tert-butyloxycarbonylmethionyl)aminoethyl)ester-5-ethylester), 3-O-ethyl 5-O-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethyl] 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, 2-Propenal,3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-,(E), 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, 2-((2-(((1,1-dimethylethoxy)carbonyl)amino)-4-(methylthio)-1-oxobutyl)amino)ethyl ethyl ester
| Molecular Formula | C30H40F3N3O7S |
|---|---|
| Molecular Weight | 643.25 g/mol |
| LogP | 4.8091 |
| Topological Polar Surface Area | 132.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 643.2539 |
| Heavy Atoms | 44 |
| Complexity | 1289.1628 |
Chemical Identifiers
| CAS Number | 111127-62-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C)C |
Product Overview
Sadopine (CAS 111127-62-9), with molecular formula C30H40F3N3O7S and molecular weight 643.25 g/mol. IUPAC: 3-O-ethyl 5-O-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethyl] 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Sadopine
Property Insights of Sadopine
The XLogP value of 4.8091 indicates that Sadopine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Sadopine. Following Lipinski's Rule of Five, Sadopine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sadopine?
The CAS number of Sadopine is 111127-62-9.
What is the molecular formula of Sadopine?
The molecular formula of Sadopine is C30H40F3N3O7S.
What is the molecular weight of Sadopine?
The molecular weight of Sadopine is 643.25 g/mol.
Where can I buy Sadopine?
You can request a quote for Sadopine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sadopine?
Yes, KEHONG BIO provides custom synthesis services for Sadopine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.