![3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate structure](/static/products/3825/38254-74-9.webp)
3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate
TL;DR: 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate (CAS 38254-74-9) is a chemical compound with molecular formula C16H26N2O7S and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate;methyl sulfate
Also Known As: 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate, 4H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-, methyl sulfate, butyl ester, butyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate,methyl sulfate, butyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate; methyl sulfate
| Molecular Formula | C16H26N2O7S |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 0.62 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.14606 |
| Heavy Atoms | 26 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 38254-74-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=C[N+](=C2CCCC(N2C1=O)C)C.COS(=O)(=O)[O-] |
| InChIKey | IAJLHVWZUVTMHQ-UHFFFAOYSA-M |
Product Overview
3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate (CAS 38254-74-9), with molecular formula C16H26N2O7S and molecular weight 390.15 g/mol. IUPAC: butyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate;methyl sulfate.
Chemical Property Profile of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate
Property Insights of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate. Following Lipinski's Rule of Five, 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate has 0 hydrogen bond donor(s) and 7 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 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate?
The CAS number of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate is 38254-74-9.
What is the molecular formula of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate?
The molecular formula of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate is C16H26N2O7S.
What is the molecular weight of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate?
The molecular weight of 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate is 390.15 g/mol.
Where can I buy 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate?
You can request a quote for 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for 3-(butoxycarbonyl)-1,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.