Stemmadenine
TL;DR: Stemmadenine (CAS 10012-73-4) 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,2S)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
Also Known As: Stemmadenine, Stemmadenin, (+)-Stemmadenine, 3,7-Secocuran-16-carboxylic acid, 2,7,19,20-tetradehydro-17-hydroxy-, methyl ester, (19E)-, Methyl (6S,7S)-5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 10012-73-4 |
|---|---|
| SMILES | CC=C1CN2CC[C@@H]1[C@](C3=C(CC2)C4=CC=CC=C4N3)(CO)C(=O)OC |
| InChIKey | MBXJCHZRHROMQA-UWJYYQICSA-N |
Product Overview
Stemmadenine (CAS 10012-73-4), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (1S,2S)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate.
Chemical Property Profile of Stemmadenine
Property Insights of Stemmadenine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stemmadenine. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Stemmadenine. Following Lipinski's Rule of Five, Stemmadenine has 2 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 Stemmadenine?
The CAS number of Stemmadenine is 10012-73-4.
What is the molecular formula of Stemmadenine?
The molecular formula of Stemmadenine is C21H26N2O3.
What is the molecular weight of Stemmadenine?
The molecular weight of Stemmadenine is 354.19 g/mol.
Where can I buy Stemmadenine?
You can request a quote for Stemmadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stemmadenine?
Yes, KEHONG BIO provides custom synthesis services for Stemmadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.