A0511/0023666
TL;DR: A0511/0023666 (CAS 302588-75-6) is a chemical compound with molecular formula C22H23N5 and molecular weight 357.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-methylphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: A0511/0023666, 6-amino-2-isopropyl-8-(p-tolyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-isopropyl-8-(4-methylphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-AMINO-8-(4-METHYLPHENYL)-2-(PROPAN-2-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-8-(4-methylphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C22H23N5 |
|---|---|
| Molecular Weight | 357.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.19534 |
| Heavy Atoms | 27 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 302588-75-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C |
| InChIKey | RUBGSNGIOBLHOB-UHFFFAOYSA-N |
Product Overview
A0511/0023666 (CAS 302588-75-6), with molecular formula C22H23N5 and molecular weight 357.20 g/mol. IUPAC: 6-amino-8-(4-methylphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of A0511/0023666
Property Insights of A0511/0023666
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0511/0023666. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A0511/0023666. Following Lipinski's Rule of Five, A0511/0023666 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 A0511/0023666?
The CAS number of A0511/0023666 is 302588-75-6.
What is the molecular formula of A0511/0023666?
The molecular formula of A0511/0023666 is C22H23N5.
What is the molecular weight of A0511/0023666?
The molecular weight of A0511/0023666 is 357.20 g/mol.
Where can I buy A0511/0023666?
You can request a quote for A0511/0023666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0511/0023666?
Yes, KEHONG BIO provides custom synthesis services for A0511/0023666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.