Methyl 4-hexadecoxy-3-nitrobenzoate
TL;DR: Methyl 4-hexadecoxy-3-nitrobenzoate (CAS 25118-08-5) is a chemical compound with molecular formula C24H39NO5 and molecular weight 421.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hexadecoxy-3-nitrobenzoate
Also Known As: methyl 4-hexadecoxy-3-nitrobenzoate, methyl 4-(hexadecyloxy)-3-nitrobenzoate, 3-Nitro-4-hexadecyloxy-benzoesaeuremethylester, Benzoic acid,4-(hexadecyloxy)-3-nitro-, methyl ester
| Molecular Formula | C24H39NO5 |
|---|---|
| Molecular Weight | 421.28 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 421.28284 |
| Heavy Atoms | 30 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 25118-08-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
| InChIKey | VWWJXTXDPRKWSS-UHFFFAOYSA-N |
Product Overview
Methyl 4-hexadecoxy-3-nitrobenzoate (CAS 25118-08-5), with molecular formula C24H39NO5 and molecular weight 421.28 g/mol. IUPAC: methyl 4-hexadecoxy-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-hexadecoxy-3-nitrobenzoate
Property Insights of Methyl 4-hexadecoxy-3-nitrobenzoate
The XLogP value of 9.7 indicates that Methyl 4-hexadecoxy-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hexadecoxy-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-hexadecoxy-3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-hexadecoxy-3-nitrobenzoate?
The CAS number of Methyl 4-hexadecoxy-3-nitrobenzoate is 25118-08-5.
What is the molecular formula of Methyl 4-hexadecoxy-3-nitrobenzoate?
The molecular formula of Methyl 4-hexadecoxy-3-nitrobenzoate is C24H39NO5.
What is the molecular weight of Methyl 4-hexadecoxy-3-nitrobenzoate?
The molecular weight of Methyl 4-hexadecoxy-3-nitrobenzoate is 421.28 g/mol.
Where can I buy Methyl 4-hexadecoxy-3-nitrobenzoate?
You can request a quote for Methyl 4-hexadecoxy-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hexadecoxy-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hexadecoxy-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.