Justine
TL;DR: Justine (CAS 462630-41-7) is a chemical compound with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-butyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Also Known As: trans-HR22C16, Monastroline, Justine, HR22C16, butyl-(3-hydroxyphenyl)[?]dione
| Molecular Formula | C23H23N3O3 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.17395 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 462630-41-7 |
|---|---|
| SMILES | CCCCN1C(=O)C2CC3=C(C(N2C1=O)C4=CC(=CC=C4)O)NC5=CC=CC=C35 |
| InChIKey | IDGCPAFIELNTPI-UHFFFAOYSA-N |
Product Overview
Justine (CAS 462630-41-7), with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol. IUPAC: 13-butyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione.
Chemical Property Profile of Justine
Property Insights of Justine
The XLogP value of 3.6 indicates that Justine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Justine. Following Lipinski's Rule of Five, Justine has 2 hydrogen bond donor(s) and 3 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 Justine?
The CAS number of Justine is 462630-41-7.
What is the molecular formula of Justine?
The molecular formula of Justine is C23H23N3O3.
What is the molecular weight of Justine?
The molecular weight of Justine is 389.17 g/mol.
Where can I buy Justine?
You can request a quote for Justine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Justine?
Yes, KEHONG BIO provides custom synthesis services for Justine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.