Dodecyl 4-chloro-3-nitrobenzoate
TL;DR: Dodecyl 4-chloro-3-nitrobenzoate (CAS 124809-77-4) is a chemical compound with molecular formula C19H28ClNO4 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 4-chloro-3-nitrobenzoate
Also Known As: Dodecyl 4-chloro-3-nitrobenzoate, Dodecyl 3-nitro-4-chlor-benzoate, Dodecyl 4-chloro-3-nitro-benzoate, Dodecyl4-chloro-3-nitrobenzoate, dodecyl 3-nitro-4-chlorbenzoate
| Molecular Formula | C19H28ClNO4 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 6.3259 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 369.1707 |
| Heavy Atoms | 25 |
| Complexity | 548.22565 |
Chemical Identifiers
| CAS Number | 124809-77-4 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
Dodecyl 4-chloro-3-nitrobenzoate (CAS 124809-77-4), with molecular formula C19H28ClNO4 and molecular weight 369.17 g/mol. IUPAC: dodecyl 4-chloro-3-nitrobenzoate.
Chemical Property Profile of Dodecyl 4-chloro-3-nitrobenzoate
Property Insights of Dodecyl 4-chloro-3-nitrobenzoate
The XLogP value of 6.3259 indicates that Dodecyl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, Dodecyl 4-chloro-3-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-chloro-3-nitrobenzoate?
The CAS number of Dodecyl 4-chloro-3-nitrobenzoate is 124809-77-4.
What is the molecular formula of Dodecyl 4-chloro-3-nitrobenzoate?
The molecular formula of Dodecyl 4-chloro-3-nitrobenzoate is C19H28ClNO4.
What is the molecular weight of Dodecyl 4-chloro-3-nitrobenzoate?
The molecular weight of Dodecyl 4-chloro-3-nitrobenzoate is 369.17 g/mol.
Where can I buy Dodecyl 4-chloro-3-nitrobenzoate?
You can request a quote for Dodecyl 4-chloro-3-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-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.