A0510/0023650
TL;DR: A0510/0023650 (CAS 302901-74-2) 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.
6-amino-2-propan-2-yl-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: A0510/0023650, 6-amino-2-(methylethyl)-8-[2-(trifluoromethyl)phenyl]-1,2,3,7,8,8a-hexahydrois oquinoline-5,7,7-tricarbonitrile, 6-amino-2-(propan-2-yl)-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-isopropyl-8-(2-(trifluoromethyl)phenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-AMINO-2-ISOPROPYL-8-[2-(TRIFLUOROMETHYL)PHENYL]-2,3,8,8A-TETRAHYDRO-5,7,7(1H)-ISOQUINOLINETRICARBONITRILE
| Molecular Formula | C22H20F3N5 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 3.83914 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.16708 |
| Heavy Atoms | 30 |
| Complexity | 1032.2472 |
Chemical Identifiers
| CAS Number | 302901-74-2 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F |
Product Overview
A0510/0023650 (CAS 302901-74-2), with molecular formula C22H20F3N5 and molecular weight 411.17 g/mol. IUPAC: 6-amino-2-propan-2-yl-8-[2-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of A0510/0023650
Property Insights of A0510/0023650
The XLogP value of 3.83914 indicates that A0510/0023650 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 A0510/0023650. Following Lipinski's Rule of Five, A0510/0023650 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 A0510/0023650?
The CAS number of A0510/0023650 is 302901-74-2.
What is the molecular formula of A0510/0023650?
The molecular formula of A0510/0023650 is C22H20F3N5.
What is the molecular weight of A0510/0023650?
The molecular weight of A0510/0023650 is 411.17 g/mol.
Where can I buy A0510/0023650?
You can request a quote for A0510/0023650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0510/0023650?
Yes, KEHONG BIO provides custom synthesis services for A0510/0023650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.