Flustramine E
TL;DR: Flustramine E (CAS 19623-23-5) is a chemical compound with molecular formula C16H21BrN2 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Also Known As: Flustramine E, (-)-Flustramine E, KST-1A2456, (3as,8as)-6-bromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole, (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
| Molecular Formula | C16H21BrN2 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0888 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 19623-23-5 |
|---|---|
| SMILES | CC(=CC[C@@]12CCN([C@@H]1NC3=C2C=CC(=C3)Br)C)C |
| InChIKey | NXURJBZDLHRCEU-HOTGVXAUSA-N |
Product Overview
Flustramine E (CAS 19623-23-5), with molecular formula C16H21BrN2 and molecular weight 320.09 g/mol. IUPAC: (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.
Chemical Property Profile of Flustramine E
Property Insights of Flustramine E
The XLogP value of 4.7 indicates that Flustramine E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, Flustramine E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flustramine E has 1 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 Flustramine E?
The CAS number of Flustramine E is 19623-23-5.
What is the molecular formula of Flustramine E?
The molecular formula of Flustramine E is C16H21BrN2.
What is the molecular weight of Flustramine E?
The molecular weight of Flustramine E is 320.09 g/mol.
Where can I buy Flustramine E?
You can request a quote for Flustramine E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flustramine E?
Yes, KEHONG BIO provides custom synthesis services for Flustramine E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.