coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)
TL;DR: coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt) (CAS 10550-27-3) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one;pyridine-4-carboxylate
Also Known As: 7-Hydroxy-4-phenyl-8-(piperidinomethyl)coumarin isonicotinate (salt), COUMARIN, 7-HYDROXY-4-PHENYL-8-(PIPERIDINOMETHYL)-, ISONICOTINATE (salt), 7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-4-carboxylate, 1-[(7-Hydroxy-2-oxo-4-phenyl-2H-1-benzopyran-8-yl)methyl]piperidin-1-ium pyridine-4-carboxylate, RefChem:334470
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 2.1795 |
| Topological Polar Surface Area | 107.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1313.6895 |
Chemical Identifiers
| CAS Number | 10550-27-3 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O.C1=CN=CC=C1C(=O)[O-] |
Product Overview
coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt) (CAS 10550-27-3), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: 7-hydroxy-4-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one;pyridine-4-carboxylate.
Chemical Property Profile of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)
Property Insights of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)
The XLogP value of 2.1795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt). The TPSA of 107.9 Ų falls within the moderate polarity range, balancing permeability and solubility for coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt). Following Lipinski's Rule of Five, coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, 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-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)?
The CAS number of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt) is 10550-27-3.
What is the molecular formula of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)?
The molecular formula of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt) is C27H26N2O5.
What is the molecular weight of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)?
The molecular weight of coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt) is 458.18 g/mol.
Where can I buy coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)?
You can request a quote for coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, 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-phenyl-8-(piperidinomethyl)-, isonicotinate (salt)?
Yes, KEHONG BIO provides custom synthesis services for coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-, isonicotinate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.