Dodecyl 4-nitrobenzoate
TL;DR: Dodecyl 4-nitrobenzoate (CAS 35507-03-0) is a chemical compound with molecular formula C19H29NO4 and molecular weight 335.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 4-nitrobenzoate
Also Known As: Dodecyl 4-nitrobenzoate, dodecyl4-nitrobenzoate, Dodecyl 4-nitrobenzoate #, 4-Nitrobenzoic acid dodecyl ester, 4-Nitro-benzoic acid dodecyl ester
| Molecular Formula | C19H29NO4 |
|---|---|
| Molecular Weight | 335.21 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 335.20966 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 35507-03-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NIXNCBRIBRCGQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl 4-nitrobenzoate (CAS 35507-03-0), with molecular formula C19H29NO4 and molecular weight 335.21 g/mol. IUPAC: dodecyl 4-nitrobenzoate.
Chemical Property Profile of Dodecyl 4-nitrobenzoate
Property Insights of Dodecyl 4-nitrobenzoate
The XLogP value of 7.7 indicates that Dodecyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Dodecyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl 4-nitrobenzoate?
The CAS number of Dodecyl 4-nitrobenzoate is 35507-03-0.
What is the molecular formula of Dodecyl 4-nitrobenzoate?
The molecular formula of Dodecyl 4-nitrobenzoate is C19H29NO4.
What is the molecular weight of Dodecyl 4-nitrobenzoate?
The molecular weight of Dodecyl 4-nitrobenzoate is 335.21 g/mol.
Where can I buy Dodecyl 4-nitrobenzoate?
You can request a quote for Dodecyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.