(9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid
TL;DR: (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid (CAS 112668-63-0) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetic acid
Also Known As: (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid, 4H-Pyrido(1,2-a)pyrimidine-3-acetic acid, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-4-oxo-, 2-(9-((4-Acetyl-3-hydroxy-2-propylphenoxy)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetic acid, 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetic acid, 4H-Pyrido[1,2-a]pyrimidine-3-aceticacid, 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxo-
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 2.7613 |
| Topological Polar Surface Area | 118.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 1182.1967 |
Chemical Identifiers
| CAS Number | 112668-63-0 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CN3C2=NC=C(C3=O)CC(=O)O |
Product Overview
(9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid (CAS 112668-63-0), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid
Property Insights of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid
The XLogP value of 2.7613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid. The TPSA of 118.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid. Following Lipinski's Rule of Five, (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid has 2 hydrogen bond donor(s) and 6 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 (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid?
The CAS number of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid is 112668-63-0.
What is the molecular formula of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid?
The molecular formula of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid is C22H22N2O6.
What is the molecular weight of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid?
The molecular weight of (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid is 410.15 g/mol.
Where can I buy (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid?
You can request a quote for (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.