Tetrahydroalstonine
TL;DR: Tetrahydroalstonine (CAS 6474-90-4) 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.
methyl (1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Also Known As: Tetrahydroalstonine, Alstonine, tetrahydro-, tetrahydro-alstonine, ALSTONINE, (-)-Tetrahydroalstonine
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 6474-90-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| InChIKey | GRTOGORTSDXSFK-DLLGKBFGSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydroalstonine (CAS 6474-90-4), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate.
Chemical Property Profile of Tetrahydroalstonine
Property Insights of Tetrahydroalstonine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroalstonine. With a topological polar surface area (TPSA) of 54.6 Ų, Tetrahydroalstonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydroalstonine 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 Tetrahydroalstonine?
The CAS number of Tetrahydroalstonine is 6474-90-4.
What is the molecular formula of Tetrahydroalstonine?
The molecular formula of Tetrahydroalstonine is C21H24N2O3.
What is the molecular weight of Tetrahydroalstonine?
The molecular weight of Tetrahydroalstonine is 352.18 g/mol.
Where can I buy Tetrahydroalstonine?
You can request a quote for Tetrahydroalstonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroalstonine?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroalstonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.