Hexadecyl 4-chloro-3-nitrobenzoate
TL;DR: Hexadecyl 4-chloro-3-nitrobenzoate (CAS 143269-75-4) is a chemical compound with molecular formula C23H36ClNO4 and molecular weight 425.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 4-chloro-3-nitrobenzoate
Also Known As: hexadecyl 4-chloro-3-nitrobenzoate, Hexadecyl 4-chloro-3-nitro-benzoate, 4-Chloro-3-nitrobenzoic acid hexadecyl ester
| Molecular Formula | C23H36ClNO4 |
|---|---|
| Molecular Weight | 425.23 g/mol |
| LogP | 7.8863 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 425.23328 |
| Heavy Atoms | 29 |
| Complexity | 606.54065 |
Chemical Identifiers
| CAS Number | 143269-75-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
Hexadecyl 4-chloro-3-nitrobenzoate (CAS 143269-75-4), with molecular formula C23H36ClNO4 and molecular weight 425.23 g/mol. IUPAC: hexadecyl 4-chloro-3-nitrobenzoate.
Chemical Property Profile of Hexadecyl 4-chloro-3-nitrobenzoate
Property Insights of Hexadecyl 4-chloro-3-nitrobenzoate
The XLogP value of 7.8863 indicates that Hexadecyl 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 Hexadecyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, Hexadecyl 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 Hexadecyl 4-chloro-3-nitrobenzoate?
The CAS number of Hexadecyl 4-chloro-3-nitrobenzoate is 143269-75-4.
What is the molecular formula of Hexadecyl 4-chloro-3-nitrobenzoate?
The molecular formula of Hexadecyl 4-chloro-3-nitrobenzoate is C23H36ClNO4.
What is the molecular weight of Hexadecyl 4-chloro-3-nitrobenzoate?
The molecular weight of Hexadecyl 4-chloro-3-nitrobenzoate is 425.23 g/mol.
Where can I buy Hexadecyl 4-chloro-3-nitrobenzoate?
You can request a quote for Hexadecyl 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 Hexadecyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.