3-Hexadecyloxy-4-nitrobenzoic acid
TL;DR: 3-Hexadecyloxy-4-nitrobenzoic acid (CAS 41607-88-9) is a chemical compound with molecular formula C23H37NO5 and molecular weight 407.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexadecoxy-4-nitrobenzoic acid
Also Known As: 3-hexadecyloxy-4-nitrobenzoic acid, 3-hexadecoxy-4-nitrobenzoic acid, 3-hexadecoxy-4-nitro-benzoic Acid
| Molecular Formula | C23H37NO5 |
|---|---|
| Molecular Weight | 407.27 g/mol |
| LogP | 7.1531 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 407.26718 |
| Heavy Atoms | 29 |
| Complexity | 602.931 |
Chemical Identifiers
| CAS Number | 41607-88-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Hexadecyloxy-4-nitrobenzoic acid (CAS 41607-88-9), with molecular formula C23H37NO5 and molecular weight 407.27 g/mol. IUPAC: 3-hexadecoxy-4-nitrobenzoic acid.
Chemical Property Profile of 3-Hexadecyloxy-4-nitrobenzoic acid
Property Insights of 3-Hexadecyloxy-4-nitrobenzoic acid
The XLogP value of 7.1531 indicates that 3-Hexadecyloxy-4-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexadecyloxy-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Hexadecyloxy-4-nitrobenzoic acid has 1 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 3-Hexadecyloxy-4-nitrobenzoic acid?
The CAS number of 3-Hexadecyloxy-4-nitrobenzoic acid is 41607-88-9.
What is the molecular formula of 3-Hexadecyloxy-4-nitrobenzoic acid?
The molecular formula of 3-Hexadecyloxy-4-nitrobenzoic acid is C23H37NO5.
What is the molecular weight of 3-Hexadecyloxy-4-nitrobenzoic acid?
The molecular weight of 3-Hexadecyloxy-4-nitrobenzoic acid is 407.27 g/mol.
Where can I buy 3-Hexadecyloxy-4-nitrobenzoic acid?
You can request a quote for 3-Hexadecyloxy-4-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexadecyloxy-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexadecyloxy-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.