16-羟基水甘草碱
TL;DR: 16-羟基水甘草碱 (CAS 22149-28-6) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-羟基水甘草碱
methyl (1R,12R,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
Also Known As: 11-Hydroxytabersonine, 16-Hydroxytabersonine, Tabersonine, 11-hydroxy-, Vinpocetine Impurity 41, HY-N1021
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 22149-28-6 |
|---|---|
| SMILES | CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)O)C(=O)OC |
| InChIKey | FXUFRJQCBVSCRZ-ACRUOGEOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16-羟基水甘草碱 (CAS 22149-28-6), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (1R,12R,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate.
Chemical Property Profile of 16-羟基水甘草碱
Property Insights of 16-羟基水甘草碱
The XLogP value of 3.0 indicates that 16-羟基水甘草碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-羟基水甘草碱. Following Lipinski's Rule of Five, 16-羟基水甘草碱 has 2 hydrogen bond donor(s) and 5 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 16-羟基水甘草碱?
The CAS number of 16-羟基水甘草碱 is 22149-28-6.
What is the molecular formula of 16-羟基水甘草碱?
The molecular formula of 16-羟基水甘草碱 is C21H24N2O3.
What is the molecular weight of 16-羟基水甘草碱?
The molecular weight of 16-羟基水甘草碱 is 352.18 g/mol.
Where can I buy 16-羟基水甘草碱?
You can request a quote for 16-羟基水甘草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-羟基水甘草碱?
Yes, KEHONG BIO provides custom synthesis services for 16-羟基水甘草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.