5,12-di-n-butylquinacridone
TL;DR: 5,12-di-n-butylquinacridone (CAS 99765-55-6) is a chemical compound with molecular formula C18H21NO2 and molecular weight 283.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile
Also Known As: 5,12-di-n-butylquinacridone, 2-[(1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile, Benzonitrile, 2-(((1-methyl-4-(1-methylethenyl)-7-oxabicyclo(2.2.1)hept-2- yl)oxy)methyl)-, exo-, 2-({[1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzonitrile, 2-({[1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}methyl)benzonitrile
| Molecular Formula | C18H21NO2 |
|---|---|
| Molecular Weight | 283.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.15723 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 99765-55-6 |
|---|---|
| SMILES | CC(=C)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C#N)C |
| InChIKey | GOAWQFQGCLGMJA-UHFFFAOYSA-N |
Product Overview
5,12-di-n-butylquinacridone (CAS 99765-55-6), with molecular formula C18H21NO2 and molecular weight 283.16 g/mol. IUPAC: 2-[(1-methyl-4-prop-1-en-2-yl-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 3.2 indicates that 5,12-di-n-butylquinacridone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 5,12-di-n-butylquinacridone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,12-di-n-butylquinacridone has 0 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 5,12-di-n-butylquinacridone?
The CAS number of 5,12-di-n-butylquinacridone is 99765-55-6.
What is the molecular formula of 5,12-di-n-butylquinacridone?
The molecular formula of 5,12-di-n-butylquinacridone is C18H21NO2.
What is the molecular weight of 5,12-di-n-butylquinacridone?
The molecular weight of 5,12-di-n-butylquinacridone is 283.16 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.