Flustramine A
TL;DR: Flustramine A (CAS 71239-64-0) is a chemical compound with molecular formula C21H29BrN2 and molecular weight 388.15 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-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Also Known As: Flustramine A, ent-Flustramine A, J1.560.837D, (3aS)-1-Methyl-3abeta-(1,1-dimethylallyl)-8-prenyl-6-bromo-1,2,3,3a,8,8abeta-hexahydropyrrolo[2,3-b]indole, (3aS,8aS)-1,2,3,3a,8,8a-Hexahydro-1-methyl-3a-(1,1-dimethylallyl)-8-(3-methyl-2-butenyl)-6-bromopyrrolo[2,3-b]indole
| Molecular Formula | C21H29BrN2 |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.1514 |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 71239-64-0 |
|---|---|
| SMILES | CC(=CCN1[C@H]2[C@](CCN2C)(C3=C1C=C(C=C3)Br)C(C)(C)C=C)C |
| InChIKey | AJYIZQUARKFPEC-FPOVZHCZSA-N |
Product Overview
Flustramine A (CAS 71239-64-0), with molecular formula C21H29BrN2 and molecular weight 388.15 g/mol. IUPAC: (3aS,8bS)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
Chemical Property Profile of Flustramine A
Property Insights of Flustramine A
The XLogP value of 6.4 indicates that Flustramine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Flustramine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flustramine A has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flustramine A?
The CAS number of Flustramine A is 71239-64-0.
What is the molecular formula of Flustramine A?
The molecular formula of Flustramine A is C21H29BrN2.
What is the molecular weight of Flustramine A?
The molecular weight of Flustramine A is 388.15 g/mol.
Where can I buy Flustramine A?
You can request a quote for Flustramine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flustramine A?
Yes, KEHONG BIO provides custom synthesis services for Flustramine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.