coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)
TL;DR: coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) (CAS 10550-25-1) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl-dimethylazanium;pyridine-3-carboxylate
Also Known As: 8-((Dimethylamino)methyl)-7-hydroxy-4-propylcoumarin nicotinate (salt), COUMARIN, 8-((DIMETHYLAMINO)METHYL)-7-HYDROXY-4-PROPYL-, NICOTINATE (salt), (7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl-dimethylazanium; pyridine-3-carboxylate, 7-HYDROXY-4-METHYL-8-(PIPERIDIN-1-YLMETHYL)-4-METHYLCOUMARIN ISONICOTINATE, 8-Dimethylaminomethyl-7-hydroxy-4-propyl-chromen-2-one; compound with nicotinic acid
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 0.5407 |
| Topological Polar Surface Area | 107.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 996.84375 |
Chemical Identifiers
| CAS Number | 10550-25-1 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+](C)C)O.C1=CC(=CN=C1)C(=O)[O-] |
Product Overview
coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) (CAS 10550-25-1), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: (7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl-dimethylazanium;pyridine-3-carboxylate.
Chemical Property Profile of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)
Property Insights of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)
The XLogP value of 0.5407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt). The TPSA of 107.9 Ų falls within the moderate polarity range, balancing permeability and solubility for coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt). Following Lipinski's Rule of Five, coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (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, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)?
The CAS number of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) is 10550-25-1.
What is the molecular formula of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)?
The molecular formula of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) is C21H24N2O5.
What is the molecular weight of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)?
The molecular weight of coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) is 384.17 g/mol.
Where can I buy coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)?
You can request a quote for coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)?
Yes, KEHONG BIO provides custom synthesis services for coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.