sinomedol N-oxide
TL;DR: sinomedol N-oxide (CAS 138964-86-0) is a chemical compound with molecular formula C24H26FN3O3 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(4-fluorobenzoyl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
Also Known As: Sinomedol N-oxide, 3-[2-[4-(4-fluorobenzoyl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one, 3-{2-[4-(4-fluorobenzoyl)-1-oxidopiperidin-1-yl]ethyl}-2,7-dimethyl-4h-pyrido[1,2-a]pyrimidin-4-one, 4H-Pyrido[1,2-a]pyrimidin-4-one,3-[2-[4-(4-fluorobenzoyl)-1-oxido-1-piperidinyl]ethyl]-2,7-dimethyl-, 3-{2-[4-(4-Fluorobenzoyl)-1-oxo-1lambda~5~-piperidin-1-yl]ethyl}-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C24H26FN3O3 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.19583 |
| Heavy Atoms | 31 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 138964-86-0 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)CC[N+]3(CCC(CC3)C(=O)C4=CC=C(C=C4)F)[O-])C)C=C1 |
| InChIKey | PFYDQUZGBBIYED-UHFFFAOYSA-N |
Product Overview
sinomedol N-oxide (CAS 138964-86-0), with molecular formula C24H26FN3O3 and molecular weight 423.20 g/mol. IUPAC: 3-[2-[4-(4-fluorobenzoyl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of sinomedol N-oxide
Property Insights of sinomedol N-oxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sinomedol N-oxide. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for sinomedol N-oxide. Following Lipinski's Rule of Five, sinomedol N-oxide has 0 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 sinomedol N-oxide?
The CAS number of sinomedol N-oxide is 138964-86-0.
What is the molecular formula of sinomedol N-oxide?
The molecular formula of sinomedol N-oxide is C24H26FN3O3.
What is the molecular weight of sinomedol N-oxide?
The molecular weight of sinomedol N-oxide is 423.20 g/mol.
Where can I buy sinomedol N-oxide?
You can request a quote for sinomedol N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sinomedol N-oxide?
Yes, KEHONG BIO provides custom synthesis services for sinomedol N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.