水甘草碱
TL;DR: 水甘草碱 (CAS 4429-63-4) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水甘草碱
methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Also Known As: Tabersonine, Tabersonin, (-)-Tabersonine, Devil's Claw Extract, tabersonine monoacetate
| Molecular Formula | C21H24N2O2 |
|---|---|
| Molecular Weight | 336.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.18378 |
| Heavy Atoms | 25 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 4429-63-4 |
|---|---|
| SMILES | CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC |
| InChIKey | FNGGIPWAZSFKCN-ACRUOGEOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水甘草碱 (CAS 4429-63-4), with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol. IUPAC: methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate.
Chemical Property Profile of 水甘草碱
Property Insights of 水甘草碱
The XLogP value of 3.4 indicates that 水甘草碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 水甘草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水甘草碱 has 1 hydrogen bond donor(s) and 4 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 水甘草碱?
The CAS number of 水甘草碱 is 4429-63-4.
What is the molecular formula of 水甘草碱?
The molecular formula of 水甘草碱 is C21H24N2O2.
What is the molecular weight of 水甘草碱?
The molecular weight of 水甘草碱 is 336.18 g/mol.
Where can I buy 水甘草碱?
You can request a quote for 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 水甘草碱?
Yes, KEHONG BIO provides custom synthesis services for 水甘草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.