Deoxybrevianamide E
TL;DR: Deoxybrevianamide E (CAS 34610-68-9) is a chemical compound with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Also Known As: Deoxybrevianamide E, Desoxybrevianamide E, 3H-Pyrrolizin-3-one, (+)-deoxybrevianamide E, cyclo-L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan
| Molecular Formula | C21H25N3O2 |
|---|---|
| Molecular Weight | 351.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.19467 |
| Heavy Atoms | 26 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 34610-68-9 |
|---|---|
| SMILES | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 |
| InChIKey | KUGNSEAHJVSMAJ-IRXDYDNUSA-N |
Product Overview
Deoxybrevianamide E (CAS 34610-68-9), with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol. IUPAC: (3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
Chemical Property Profile of Deoxybrevianamide E
Property Insights of Deoxybrevianamide E
The XLogP value of 3.5 indicates that Deoxybrevianamide E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxybrevianamide E. Following Lipinski's Rule of Five, Deoxybrevianamide E has 2 hydrogen bond donor(s) and 2 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 Deoxybrevianamide E?
The CAS number of Deoxybrevianamide E is 34610-68-9.
What is the molecular formula of Deoxybrevianamide E?
The molecular formula of Deoxybrevianamide E is C21H25N3O2.
What is the molecular weight of Deoxybrevianamide E?
The molecular weight of Deoxybrevianamide E is 351.19 g/mol.
Where can I buy Deoxybrevianamide E?
You can request a quote for Deoxybrevianamide E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxybrevianamide E?
Yes, KEHONG BIO provides custom synthesis services for Deoxybrevianamide E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.