Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate
TL;DR: Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate (CAS 79513-67-0) is a chemical compound with molecular formula C20H33N3O4S and molecular weight 411.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
Also Known As: Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate, methanesulfonic acid; 1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole, Methanesulfonic acid--1-methyl-8-(octyloxy)-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole (1/1), RefChem:377711
| Molecular Formula | C20H33N3O4S |
|---|---|
| Molecular Weight | 411.22 g/mol |
| LogP | 4.1195 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.21918 |
| Heavy Atoms | 28 |
| Complexity | 840.498 |
Chemical Identifiers
| CAS Number | 79513-67-0 |
|---|---|
| SMILES | CCCCCCCCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C.CS(=O)(=O)O |
Product Overview
Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate (CAS 79513-67-0), with molecular formula C20H33N3O4S and molecular weight 411.22 g/mol. IUPAC: methanesulfonic acid;1-methyl-8-octoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
Chemical Property Profile of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate
Property Insights of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate
The XLogP value of 4.1195 indicates that Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate. Following Lipinski's Rule of Five, Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate has 1 hydrogen bond donor(s) and 5 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 Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate?
The CAS number of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate is 79513-67-0.
What is the molecular formula of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate?
The molecular formula of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate is C20H33N3O4S.
What is the molecular weight of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate?
The molecular weight of Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate is 411.22 g/mol.
Where can I buy Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate?
You can request a quote for Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-1-methyl-8-octyloxy-, methanesulfonate, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.