1-(Dodecyloxy)-2-nitrobenzene
TL;DR: 1-(Dodecyloxy)-2-nitrobenzene (CAS 83027-71-8) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dodecoxy-2-nitrobenzene
Also Known As: 1-Dodecyloxy-2-nitrobenzene, 1-(Dodecyloxy)-2-nitrobenzene, 2-Nitrophenyl dodecyl ether, Dodecyl 2-nitrophenyl ether, 1-dodecoxy-2-nitrobenzene
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 83027-71-8 |
|---|---|
| SMILES | CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | DXCTUMLYTQODSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Dodecyloxy)-2-nitrobenzene (CAS 83027-71-8), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 1-dodecoxy-2-nitrobenzene.
Chemical Property Profile of 1-(Dodecyloxy)-2-nitrobenzene
Property Insights of 1-(Dodecyloxy)-2-nitrobenzene
The XLogP value of 7.3 indicates that 1-(Dodecyloxy)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(Dodecyloxy)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dodecyloxy)-2-nitrobenzene 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 1-(Dodecyloxy)-2-nitrobenzene?
The CAS number of 1-(Dodecyloxy)-2-nitrobenzene is 83027-71-8.
What is the molecular formula of 1-(Dodecyloxy)-2-nitrobenzene?
The molecular formula of 1-(Dodecyloxy)-2-nitrobenzene is C18H29NO3.
What is the molecular weight of 1-(Dodecyloxy)-2-nitrobenzene?
The molecular weight of 1-(Dodecyloxy)-2-nitrobenzene is 307.21 g/mol.
Where can I buy 1-(Dodecyloxy)-2-nitrobenzene?
You can request a quote for 1-(Dodecyloxy)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dodecyloxy)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dodecyloxy)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.