1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-
TL;DR: 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- (CAS 114355-42-9) is a chemical compound with molecular formula C19H23ClO2 and molecular weight 318.13867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)-3-octylnaphthalene-1,4-dione
Also Known As: 2-(chloromethyl)-3-octylnaphthalene-1,4-dione, 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-, 2,3-di-tert-butylnaphthalene-1,4-dione, 2-(Chloromethyl)-3-octyl-1,4-naphthalenedione, 1,4-Naphthalenedione,2-(chloromethyl)-3-octyl-
Technical Specifications
| Molecular Formula | C19H23ClO2 |
| Molecular Weight | 318.13867 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.13867 Da |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
| SMILES | CCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)CCl |
| InChIKey | KRCMOZFFWCQDFG-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-
Property Insights of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-
The XLogP value of 5.9 indicates that 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-?
The CAS number of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- is 114355-42-9.
What is the molecular formula of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-?
The molecular formula of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- is C19H23ClO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-?
The molecular weight of 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- is 318.13867 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-?
You can request a quote for 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl-?
Yes, CoreyChem provides custom synthesis services for 1,4-Naphthalenedione, 2-(chloromethyl)-3-octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.