C22H20F3N5
TL;DR: C22H20F3N5 (CAS 303012-44-4) is a chemical compound with molecular formula C22H20F3N5 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,8aR)-6-amino-2-propyl-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8S,8aR)-6-amino-2-propyl-8-(2-(trifluoromethyl)phenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C22H20F3N5 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.84074 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.16708 |
| Heavy Atoms | 30 |
| Complexity | 1018.56854 |
Chemical Identifiers
| CAS Number | 303012-44-4 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F |
Product Overview
C22H20F3N5 (CAS 303012-44-4), with molecular formula C22H20F3N5 and molecular weight 411.17 g/mol. IUPAC: (8S,8aR)-6-amino-2-propyl-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of C22H20F3N5
Property Insights of C22H20F3N5
The XLogP value of 3.84074 indicates that C22H20F3N5 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 C22H20F3N5. Following Lipinski's Rule of Five, C22H20F3N5 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 C22H20F3N5?
The CAS number of C22H20F3N5 is 303012-44-4.
What is the molecular formula of C22H20F3N5?
The molecular formula of C22H20F3N5 is C22H20F3N5.
What is the molecular weight of C22H20F3N5?
The molecular weight of C22H20F3N5 is 411.17 g/mol.
Where can I buy C22H20F3N5?
You can request a quote for C22H20F3N5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H20F3N5?
Yes, KEHONG BIO provides custom synthesis services for C22H20F3N5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.