![2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate structure](/static/products/7495/74958-34-2.webp)
2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate
TL;DR: 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate (CAS 74958-34-2) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylaminomethyl)-6-methylphenyl] 4-nitrobenzoate
Also Known As: NCIOpen2_007675, 2-[(diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate, [2-(diethylaminomethyl)-6-methylphenyl] 4-nitrobenzoate, 2-((diethylamino)methyl)-6-methylphenyl 4-nitrobenzoate, 2h-1-benzopyran-2-one, 4-ethyl-7-[(3-methoxyphenyl)methoxy]-8-methyl-
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 74958-34-2 |
|---|---|
| SMILES | CCN(CC)CC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | IIRPXIICUJHJIB-UHFFFAOYSA-N |
Product Overview
2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate (CAS 74958-34-2), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: [2-(diethylaminomethyl)-6-methylphenyl] 4-nitrobenzoate.
Chemical Property Profile of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate
Property Insights of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate
The XLogP value of 4.1 indicates that 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate?
The CAS number of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate is 74958-34-2.
What is the molecular formula of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate?
The molecular formula of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate is C19H22N2O4.
What is the molecular weight of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate?
The molecular weight of 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate is 342.16 g/mol.
Where can I buy 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate?
You can request a quote for 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Diethylamino)methyl]-6-methylphenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.