RefChem:869074
TL;DR: RefChem:869074 (CAS 23552-75-2) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-2-methylpropanenitrile
Also Known As: 4-((2-Cyanopropyl)amino)-1-hydroxyanthraquinone, 3-[(9,10-dihydro-4-hydroxy-9,10-dioxoanthryl)amino]-2-methylpropiononitrile, Propanenitrile, 3-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-2-methyl-, Propanenitrile, 3-((9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino)-2-methyl-, 3-[(4-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)AMINO]-2-METHYLPROPANENITRILE
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 23552-75-2 |
|---|---|
| SMILES | CC(CNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O)C#N |
| InChIKey | QTQLGVMGVQNRMC-UHFFFAOYSA-N |
Product Overview
RefChem:869074 (CAS 23552-75-2), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: 3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-2-methylpropanenitrile.
Chemical Property Profile of RefChem:869074
Property Insights of RefChem:869074
The XLogP value of 3.9 indicates that RefChem:869074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869074. Following Lipinski's Rule of Five, RefChem:869074 has 2 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 RefChem:869074?
The CAS number of RefChem:869074 is 23552-75-2.
What is the molecular formula of RefChem:869074?
The molecular formula of RefChem:869074 is C18H14N2O3.
What is the molecular weight of RefChem:869074?
The molecular weight of RefChem:869074 is 306.10 g/mol.
Where can I buy RefChem:869074?
You can request a quote for RefChem:869074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869074?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.