6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
TL;DR: 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 302925-29-7) is a chemical compound with molecular formula C25H19F2N5 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-benzyl-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-benzyl-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, A0908/0042620, 6-AMINO-2-BENZYL-8-(2,4-DIFLUOROPHENYL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE
| Molecular Formula | C25H19F2N5 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.89034 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.16086 |
| Heavy Atoms | 32 |
| Complexity | 1229.819 |
Chemical Identifiers
| CAS Number | 302925-29-7 |
|---|---|
| SMILES | C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=C(C=C(C=C4)F)F |
Product Overview
6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 302925-29-7), with molecular formula C25H19F2N5 and molecular weight 427.16 g/mol. IUPAC: 6-amino-2-benzyl-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Property Insights of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
The XLogP value of 3.89034 indicates that 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile. Following Lipinski's Rule of Five, 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The CAS number of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 302925-29-7.
What is the molecular formula of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular formula of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is C25H19F2N5.
What is the molecular weight of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular weight of 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 427.16 g/mol.
Where can I buy 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
You can request a quote for 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-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-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-benzyl-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.