Tabernaemontanin
TL;DR: Tabernaemontanin (CAS 2134-98-7) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,14R,15S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Also Known As: Tabernaemontanin, Tabernamontanine, Tabernemontanine, Tabernaemontanine, 20-Epidregamine
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 3.0424 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 856.0583 |
Chemical Identifiers
| CAS Number | 2134-98-7 |
|---|---|
| SMILES | CC[C@@H]1CN([C@H]2CC3=C(C(=O)C[C@H]1C2C(=O)OC)NC4=CC=CC=C34)C |
Product Overview
Tabernaemontanin (CAS 2134-98-7), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (1S,14R,15S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate.
Chemical Property Profile of Tabernaemontanin
Property Insights of Tabernaemontanin
The XLogP value of 3.0424 indicates that Tabernaemontanin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tabernaemontanin. Following Lipinski's Rule of Five, Tabernaemontanin 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 Tabernaemontanin?
The CAS number of Tabernaemontanin is 2134-98-7.
What is the molecular formula of Tabernaemontanin?
The molecular formula of Tabernaemontanin is C21H26N2O3.
What is the molecular weight of Tabernaemontanin?
The molecular weight of Tabernaemontanin is 354.19 g/mol.
Where can I buy Tabernaemontanin?
You can request a quote for Tabernaemontanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tabernaemontanin?
Yes, KEHONG BIO provides custom synthesis services for Tabernaemontanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.