Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)
TL;DR: Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) (CAS 10550-22-8) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one;pyridine-4-carboxylate
Also Known As: Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt), 7-Hydroxy-4-methyl-8-(piperidinomethyl)-4-methylcoumarin isonicotinate (salt), 7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-4-carboxylate, 7-HYDROXY-4-METHYL-8-(PIPERIDIN-1-YLMETHYL)-4-METHYLCOUMARIN ISONICOTINATE, 7-hydroxy-4,4-dimethyl-8-(piperidin-1-ylmethyl)-3H-chromen-2-one,pyridine-4-carboxylic acid
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 0.82092 |
| Topological Polar Surface Area | 107.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 1040.2472 |
Chemical Identifiers
| CAS Number | 10550-22-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O.C1=CN=CC=C1C(=O)[O-] |
Product Overview
Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) (CAS 10550-22-8), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: 7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one;pyridine-4-carboxylate.
Chemical Property Profile of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)
Property Insights of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)
The XLogP value of 0.82092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt). The TPSA of 107.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt). Following Lipinski's Rule of Five, Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) 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 Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)?
The CAS number of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) is 10550-22-8.
What is the molecular formula of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)?
The molecular formula of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) is C22H24N2O5.
What is the molecular weight of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)?
The molecular weight of Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) is 396.17 g/mol.
Where can I buy Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)?
You can request a quote for Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.