RefChem:297794
TL;DR: RefChem:297794 (CAS 382-52-5) is a chemical compound with molecular formula C15H24N2O7S and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
Also Known As: KST-1B3806, 1,6-dimethyl-4-oxo-3-(propoxycarbonyl)-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, propyl ester, methyl sulfate; propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
| Molecular Formula | C15H24N2O7S |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 0.2299 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.13043 |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 382-52-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C[N+](=C2CCCC(N2C1=O)C)C.COS(=O)(=O)[O-] |
| InChIKey | JZKRGCHNGZXPGJ-UHFFFAOYSA-M |
Product Overview
RefChem:297794 (CAS 382-52-5), with molecular formula C15H24N2O7S and molecular weight 376.13 g/mol. IUPAC: methyl sulfate;propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate.
Chemical Property Profile of RefChem:297794
Property Insights of RefChem:297794
The XLogP value of 0.2299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:297794. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:297794. Following Lipinski's Rule of Five, RefChem:297794 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 RefChem:297794?
The CAS number of RefChem:297794 is 382-52-5.
What is the molecular formula of RefChem:297794?
The molecular formula of RefChem:297794 is C15H24N2O7S.
What is the molecular weight of RefChem:297794?
The molecular weight of RefChem:297794 is 376.13 g/mol.
Where can I buy RefChem:297794?
You can request a quote for RefChem:297794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297794?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.