Lansoprazole disulfide active metabolite
TL;DR: Lansoprazole disulfide active metabolite (CAS 700341-80-6) is a chemical compound with molecular formula C32H28F6N6O2S2+2 and molecular weight 706.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methyldisulfanyl]methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-1-yl]-1H-benzimidazole
Also Known As: Lansoprazole disulfide active metabolite, Pyridinium, 2,2'-(dithiobis(methylene))bis(1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)-, 2-[2-[[[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methyldisulfanyl]methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-1-yl]-1H-benzimidazole, 2,2 -[Dithiobis(methylene)]bis[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridinium], 2,2'-[Disulfanediylbis(methylene)]bis[1-(1H-1,3-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium]
| Molecular Formula | C32H28F6N6O2S2+2 |
|---|---|
| Molecular Weight | 706.16 g/mol |
| LogP | 7.57324 |
| Topological Polar Surface Area | 83.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 706.1619 |
| Heavy Atoms | 48 |
| Complexity | 1865.2905 |
Chemical Identifiers
| CAS Number | 700341-80-6 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1CSSCC2=[N+](C=CC(=C2C)OCC(F)(F)F)C3=NC4=CC=CC=C4N3)C5=NC6=CC=CC=C6N5)OCC(F)(F)F |
Product Overview
Lansoprazole disulfide active metabolite (CAS 700341-80-6), with molecular formula C32H28F6N6O2S2+2 and molecular weight 706.16 g/mol. IUPAC: 2-[2-[[[1-(1H-benzimidazol-2-yl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methyldisulfanyl]methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-1-yl]-1H-benzimidazole.
Chemical Property Profile of Lansoprazole disulfide active metabolite
Property Insights of Lansoprazole disulfide active metabolite
The XLogP value of 7.57324 indicates that Lansoprazole disulfide active metabolite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Lansoprazole disulfide active metabolite. Following Lipinski's Rule of Five, Lansoprazole disulfide active metabolite has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lansoprazole disulfide active metabolite?
The CAS number of Lansoprazole disulfide active metabolite is 700341-80-6.
What is the molecular formula of Lansoprazole disulfide active metabolite?
The molecular formula of Lansoprazole disulfide active metabolite is C32H28F6N6O2S2+2.
What is the molecular weight of Lansoprazole disulfide active metabolite?
The molecular weight of Lansoprazole disulfide active metabolite is 706.16 g/mol.
Where can I buy Lansoprazole disulfide active metabolite?
You can request a quote for Lansoprazole disulfide active metabolite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lansoprazole disulfide active metabolite?
Yes, KEHONG BIO provides custom synthesis services for Lansoprazole disulfide active metabolite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.