4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid
TL;DR: 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid (CAS 94199-45-8) is a chemical compound with molecular formula C26H46N2O2 and molecular weight 418.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[methyl(octadecyl)amino]benzoic acid
Also Known As: EINECS 303-417-9, 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid, 3-amino-4-[methyl(octadecyl)amino]benzoic acid, 3-Amino-4-[(methyl)octadecylamino]benzoic acid
| Molecular Formula | C26H46N2O2 |
|---|---|
| Molecular Weight | 418.36 g/mol |
| LogP | 7.6647 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 418.35593 |
| Heavy Atoms | 30 |
| Complexity | 574.15204 |
Chemical Identifiers
| CAS Number | 94199-45-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)N |
Product Overview
4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid (CAS 94199-45-8), with molecular formula C26H46N2O2 and molecular weight 418.36 g/mol. IUPAC: 3-amino-4-[methyl(octadecyl)amino]benzoic acid.
Chemical Property Profile of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid
Property Insights of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid
The XLogP value of 7.6647 indicates that 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid. Following Lipinski's Rule of Five, 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
The CAS number of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid is 94199-45-8.
What is the molecular formula of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
The molecular formula of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid is C26H46N2O2.
What is the molecular weight of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
The molecular weight of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid is 418.36 g/mol.
Where can I buy 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
You can request a quote for 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.