![6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile structure](/static/products/305/305863-75-6.png)
6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile
TL;DR: 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile (CAS 305863-75-6) is a chemical compound with molecular formula C26H19BrN6O and molecular weight 510.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-2'-benzyl-5-bromo-2-oxospiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
Also Known As: 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile, 6'-amino-2'-benzyl-5-bromo-2-oxo-2',3'-dihydro-1'H-spiro[indoline-3,8'-isoquinoline]-5',7',7'(8a'H)-tricarbonitrile, 6'-amino-2'-benzyl-5-bromo-2-oxospiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
| Molecular Formula | C26H19BrN6O |
|---|---|
| Molecular Weight | 510.08 g/mol |
| LogP | 3.48094 |
| Topological Polar Surface Area | 129.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 510.08038 |
| Heavy Atoms | 34 |
| Complexity | 1393.49 |
Chemical Identifiers
| CAS Number | 305863-75-6 |
|---|---|
| SMILES | C1C=C2C(CN1CC3=CC=CC=C3)C4(C5=C(C=CC(=C5)Br)NC4=O)C(C(=C2C#N)N)(C#N)C#N |
Product Overview
6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile (CAS 305863-75-6), with molecular formula C26H19BrN6O and molecular weight 510.08 g/mol. IUPAC: 6'-amino-2'-benzyl-5-bromo-2-oxospiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile.
Chemical Property Profile of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile
Property Insights of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile
The XLogP value of 3.48094 indicates that 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile. Following Lipinski's Rule of Five, 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile has 2 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 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile?
The CAS number of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile is 305863-75-6.
What is the molecular formula of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile?
The molecular formula of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile is C26H19BrN6O.
What is the molecular weight of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile?
The molecular weight of 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile is 510.08 g/mol.
Where can I buy 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile?
You can request a quote for 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6'-amino-2'-benzyl-5-bromo-2-hydroxy-1',2',3',8a'-tetrahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.