3-Nitro-4-(octadecylamino)benzoic acid
TL;DR: 3-Nitro-4-(octadecylamino)benzoic acid (CAS 476479-82-0) is a chemical compound with molecular formula C25H42N2O4 and molecular weight 434.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(octadecylamino)benzoic acid
Also Known As: 3-nitro-4-(octadecylamino)benzoic acid
| Molecular Formula | C25H42N2O4 |
|---|---|
| Molecular Weight | 434.31 g/mol |
| LogP | 7.9664 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 434.31445 |
| Heavy Atoms | 31 |
| Complexity | 633.94806 |
Chemical Identifiers
| CAS Number | 476479-82-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitro-4-(octadecylamino)benzoic acid (CAS 476479-82-0), with molecular formula C25H42N2O4 and molecular weight 434.31 g/mol. IUPAC: 3-nitro-4-(octadecylamino)benzoic acid.
Chemical Property Profile of 3-Nitro-4-(octadecylamino)benzoic acid
Property Insights of 3-Nitro-4-(octadecylamino)benzoic acid
The XLogP value of 7.9664 indicates that 3-Nitro-4-(octadecylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(octadecylamino)benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-(octadecylamino)benzoic acid has 2 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-Nitro-4-(octadecylamino)benzoic acid?
The CAS number of 3-Nitro-4-(octadecylamino)benzoic acid is 476479-82-0.
What is the molecular formula of 3-Nitro-4-(octadecylamino)benzoic acid?
The molecular formula of 3-Nitro-4-(octadecylamino)benzoic acid is C25H42N2O4.
What is the molecular weight of 3-Nitro-4-(octadecylamino)benzoic acid?
The molecular weight of 3-Nitro-4-(octadecylamino)benzoic acid is 434.31 g/mol.
Where can I buy 3-Nitro-4-(octadecylamino)benzoic acid?
You can request a quote for 3-Nitro-4-(octadecylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(octadecylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(octadecylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.