Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-
TL;DR: Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- (CAS 124485-98-9) is a chemical compound with molecular formula C27H35ClN4O4S2 and molecular weight 578.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoate chloride
Also Known As: Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-, ethyl 2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoate chloride, Ethyl 3-({[3-methyl-4-(methyloxidaniumylidene)-1-(5,5,7,7-tetramethyl-6-oxo-1,5,6,7-tetrahydroindeno[5,6-d]imidazol-2-yl)-1,4-dihydropyridin-2-yl]methyl}disulfanyl)alaninate chloride, Pyridinium,2-[[(2-amino-3-ethoxy-3-oxopropyl)dithio]methyl]-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-,chloride, (R)- (9CI), RefChem:377100
| Molecular Formula | C27H35ClN4O4S2 |
|---|---|
| Molecular Weight | 578.18 g/mol |
| LogP | 1.07032 |
| Topological Polar Surface Area | 111.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 578.17883 |
| Heavy Atoms | 38 |
| Complexity | 1317.8518 |
Chemical Identifiers
| CAS Number | 124485-98-9 |
|---|---|
| SMILES | CCOC(=O)C(CSSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)N.[Cl-] |
Product Overview
Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- (CAS 124485-98-9), with molecular formula C27H35ClN4O4S2 and molecular weight 578.18 g/mol. IUPAC: ethyl 2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoate chloride.
Chemical Property Profile of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-
Property Insights of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-
The XLogP value of 1.07032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-. The TPSA of 111.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-. Following Lipinski's Rule of Five, Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-?
The CAS number of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- is 124485-98-9.
What is the molecular formula of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-?
The molecular formula of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- is C27H35ClN4O4S2.
What is the molecular weight of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-?
The molecular weight of Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- is 578.18 g/mol.
Where can I buy Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-?
You can request a quote for Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 2-(((2-amino-3-ethoxy-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.