ChemDiv1_020785
TL;DR: ChemDiv1_020785 (CAS 1212459-44-3) is a chemical compound with molecular formula C24H22F3N5O2 and molecular weight 469.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6-amino-5,7,7-tricyano-8-[4-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: ChemDiv1_020785, A1733/0073647, TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE, tert-butyl 6-amino-5,7,7-tricyano-8-[4-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
| Molecular Formula | C24H22F3N5O2 |
|---|---|
| Molecular Weight | 469.17 g/mol |
| LogP | 4.36584 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 469.17255 |
| Heavy Atoms | 34 |
| Complexity | 1173.9186 |
Chemical Identifiers
| CAS Number | 1212459-44-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
ChemDiv1_020785 (CAS 1212459-44-3), with molecular formula C24H22F3N5O2 and molecular weight 469.17 g/mol. IUPAC: tert-butyl 6-amino-5,7,7-tricyano-8-[4-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of ChemDiv1_020785
Property Insights of ChemDiv1_020785
The XLogP value of 4.36584 indicates that ChemDiv1_020785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020785. Following Lipinski's Rule of Five, ChemDiv1_020785 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_020785?
The CAS number of ChemDiv1_020785 is 1212459-44-3.
What is the molecular formula of ChemDiv1_020785?
The molecular formula of ChemDiv1_020785 is C24H22F3N5O2.
What is the molecular weight of ChemDiv1_020785?
The molecular weight of ChemDiv1_020785 is 469.17 g/mol.
Where can I buy ChemDiv1_020785?
You can request a quote for ChemDiv1_020785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020785?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.