5,12-di-n-butylquinacridone
TL;DR: 5,12-di-n-butylquinacridone (CAS 99765-59-0) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile
Also Known As: 5,12-di-n-butylquinacridone, Benzonitrile, 2-(((4-(1-hydroxy-1-methylethyl)-1-methyl-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-, 2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile, 2-[[1-(2-hydroxypropan-2-yl)-4-methyl-7-oxabicyclo[2.2.1]hept-5-yl]oxymethyl]benzonitrile, 2-({[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzonitrile
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 99765-59-0 |
|---|---|
| SMILES | CC12CCC(O1)(CC2OCC3=CC=CC=C3C#N)C(C)(C)O |
| InChIKey | WIICOXODXFNKOI-UHFFFAOYSA-N |
Product Overview
5,12-di-n-butylquinacridone (CAS 99765-59-0), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: 2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile.
Chemical Property Profile of 5,12-di-n-butylquinacridone
Property Insights of 5,12-di-n-butylquinacridone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,12-di-n-butylquinacridone. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,12-di-n-butylquinacridone. Following Lipinski's Rule of Five, 5,12-di-n-butylquinacridone has 1 hydrogen bond donor(s) and 4 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 5,12-di-n-butylquinacridone?
The CAS number of 5,12-di-n-butylquinacridone is 99765-59-0.
What is the molecular formula of 5,12-di-n-butylquinacridone?
The molecular formula of 5,12-di-n-butylquinacridone is C18H23NO3.
What is the molecular weight of 5,12-di-n-butylquinacridone?
The molecular weight of 5,12-di-n-butylquinacridone is 301.17 g/mol.
Where can I buy 5,12-di-n-butylquinacridone?
You can request a quote for 5,12-di-n-butylquinacridone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,12-di-n-butylquinacridone?
Yes, KEHONG BIO provides custom synthesis services for 5,12-di-n-butylquinacridone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.