A1283/0058561
TL;DR: A1283/0058561 (CAS 311326-47-3) is a chemical compound with molecular formula C21H19F2N5 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(2,4-difluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: A1283/0058561, 6-amino-8-(2,4-difluorophenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-AMINO-8-(2,4-DIFLUOROPHENYL)-2-(PROPAN-2-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-8-(2,4-difluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(2,4-difluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C21H19F2N5 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 3.09854 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.16086 |
| Heavy Atoms | 28 |
| Complexity | 989.093 |
Chemical Identifiers
| CAS Number | 311326-47-3 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F |
Product Overview
A1283/0058561 (CAS 311326-47-3), with molecular formula C21H19F2N5 and molecular weight 379.16 g/mol. IUPAC: 6-amino-8-(2,4-difluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of A1283/0058561
Property Insights of A1283/0058561
The XLogP value of 3.09854 indicates that A1283/0058561 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 A1283/0058561. Following Lipinski's Rule of Five, A1283/0058561 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 A1283/0058561?
The CAS number of A1283/0058561 is 311326-47-3.
What is the molecular formula of A1283/0058561?
The molecular formula of A1283/0058561 is C21H19F2N5.
What is the molecular weight of A1283/0058561?
The molecular weight of A1283/0058561 is 379.16 g/mol.
Where can I buy A1283/0058561?
You can request a quote for A1283/0058561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1283/0058561?
Yes, KEHONG BIO provides custom synthesis services for A1283/0058561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.