Sativanine E
TL;DR: Sativanine E (CAS 98618-05-4) is a chemical compound with molecular formula C33H41N5O5 and molecular weight 587.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-4-[2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-10-(2-methylpropyl)-2-oxa-4,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
Also Known As: Sativanine E, (13E)-4-[2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-10-(2-methylpropyl)-2-oxa-4,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
| Molecular Formula | C33H41N5O5 |
|---|---|
| Molecular Weight | 587.31 g/mol |
| LogP | 3.5342 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 587.3108 |
| Heavy Atoms | 43 |
| Complexity | 1512.3313 |
Chemical Identifiers
| CAS Number | 98618-05-4 |
|---|---|
| SMILES | CC(C)CC1C(=O)N/C=C/C2=C(C=CC(=C2)OC3C(CCN3C(=O)C(CC4=CNC5=CC=CC=C54)N(C)C)C(=O)N1)OC |
Product Overview
Sativanine E (CAS 98618-05-4), with molecular formula C33H41N5O5 and molecular weight 587.31 g/mol. IUPAC: (13E)-4-[2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-10-(2-methylpropyl)-2-oxa-4,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione.
Chemical Property Profile of Sativanine E
Property Insights of Sativanine E
The XLogP value of 3.5342 indicates that Sativanine E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sativanine E. Following Lipinski's Rule of Five, Sativanine E has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sativanine E?
The CAS number of Sativanine E is 98618-05-4.
What is the molecular formula of Sativanine E?
The molecular formula of Sativanine E is C33H41N5O5.
What is the molecular weight of Sativanine E?
The molecular weight of Sativanine E is 587.31 g/mol.
Where can I buy Sativanine E?
You can request a quote for Sativanine E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sativanine E?
Yes, KEHONG BIO provides custom synthesis services for Sativanine E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.