8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate
TL;DR: 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate (CAS 79513-69-2) is a chemical compound with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethoxy-1-methyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;methanesulfonic acid
Also Known As: 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate, Pyrimido(1,2-a)benzimidazole, 1,2,3,4-tetrahydro-8-ethoxy-1-methyl-, methanesulfonate, 8-ethoxy-1-methyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole; methanesulfonic acid, Methanesulfonic acid--8-ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole (1/1), RefChem:377715
| Molecular Formula | C14H21N3O4S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.7789 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.12527 |
| Heavy Atoms | 22 |
| Complexity | 746.7789 |
Chemical Identifiers
| CAS Number | 79513-69-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N3CCCN(C3=N2)C.CS(=O)(=O)O |
Product Overview
8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate (CAS 79513-69-2), with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol. IUPAC: 8-ethoxy-1-methyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;methanesulfonic acid.
Chemical Property Profile of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate
Property Insights of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate
The XLogP value of 1.7789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate. Following Lipinski's Rule of Five, 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate 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 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate?
The CAS number of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate is 79513-69-2.
What is the molecular formula of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate?
The molecular formula of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate is C14H21N3O4S.
What is the molecular weight of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate?
The molecular weight of 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate is 327.13 g/mol.
Where can I buy 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate?
You can request a quote for 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Ethoxy-1-methyl-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.