Benzene, 1-isooctyl-4-(4-nitrophenoxy)-
TL;DR: Benzene, 1-isooctyl-4-(4-nitrophenoxy)- (CAS 68958-53-2) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methylheptyl)-4-(4-nitrophenoxy)benzene
Also Known As: 4-Nitro-4'-isooctyldiphenyl ether, 1-Isooctyl-4-(4-nitrophenoxy)benzene, 1-(6-methylheptyl)-4-(4-nitrophenoxy)benzene, Benzene, 1-isooctyl-4-(4-nitrophenoxy)-, Benzene,1-isooctyl-4-(4-nitrophenoxy)-
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 68958-53-2 |
|---|---|
| SMILES | CC(C)CCCCCC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JGJYBIMETXRNKX-UHFFFAOYSA-N |
Product Overview
Benzene, 1-isooctyl-4-(4-nitrophenoxy)- (CAS 68958-53-2), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: 1-(6-methylheptyl)-4-(4-nitrophenoxy)benzene.
Chemical Property Profile of Benzene, 1-isooctyl-4-(4-nitrophenoxy)-
Property Insights of Benzene, 1-isooctyl-4-(4-nitrophenoxy)-
The XLogP value of 7.0 indicates that Benzene, 1-isooctyl-4-(4-nitrophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-isooctyl-4-(4-nitrophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-isooctyl-4-(4-nitrophenoxy)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-isooctyl-4-(4-nitrophenoxy)-?
The CAS number of Benzene, 1-isooctyl-4-(4-nitrophenoxy)- is 68958-53-2.
What is the molecular formula of Benzene, 1-isooctyl-4-(4-nitrophenoxy)-?
The molecular formula of Benzene, 1-isooctyl-4-(4-nitrophenoxy)- is C20H25NO3.
What is the molecular weight of Benzene, 1-isooctyl-4-(4-nitrophenoxy)-?
The molecular weight of Benzene, 1-isooctyl-4-(4-nitrophenoxy)- is 327.18 g/mol.
Where can I buy Benzene, 1-isooctyl-4-(4-nitrophenoxy)-?
You can request a quote for Benzene, 1-isooctyl-4-(4-nitrophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-isooctyl-4-(4-nitrophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-isooctyl-4-(4-nitrophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.