Niceverine
TL;DR: Niceverine (CAS 2545-24-6) is a chemical compound with molecular formula C30H23N3O6 and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate
Also Known As: Niceverine, Niceverina, Niceverinum, ALTEPIASE, Niceverine [INN:DCF]
| Molecular Formula | C30H23N3O6 |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1587 |
| Heavy Atoms | 39 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 2545-24-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC |
| InChIKey | AVZWZMHQQAPZNA-UHFFFAOYSA-N |
Product Overview
Niceverine (CAS 2545-24-6), with molecular formula C30H23N3O6 and molecular weight 521.16 g/mol. IUPAC: [4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate.
Chemical Property Profile of Niceverine
Property Insights of Niceverine
The XLogP value of 4.7 indicates that Niceverine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Niceverine. Following Lipinski's Rule of Five, Niceverine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Niceverine?
The CAS number of Niceverine is 2545-24-6.
What is the molecular formula of Niceverine?
The molecular formula of Niceverine is C30H23N3O6.
What is the molecular weight of Niceverine?
The molecular weight of Niceverine is 521.16 g/mol.
Where can I buy Niceverine?
You can request a quote for Niceverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niceverine?
Yes, KEHONG BIO provides custom synthesis services for Niceverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.