3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate
TL;DR: 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate (CAS 329933-72-4) is a chemical compound with molecular formula C16H15NO4 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl) 3-methyl-4-nitrobenzoate
Also Known As: 3,4-dimethylphenyl 3-methyl-4-nitrobenzoate, 3,4-dimethylphenyl 4-nitro-3-methylbenzoate, (3,4-dimethylphenyl) 3-methyl-4-nitrobenzoate
| Molecular Formula | C16H15NO4 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1001 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 329933-72-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C |
| InChIKey | KICJWEZNCCKOEN-UHFFFAOYSA-N |
Product Overview
3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate (CAS 329933-72-4), with molecular formula C16H15NO4 and molecular weight 285.10 g/mol. IUPAC: (3,4-dimethylphenyl) 3-methyl-4-nitrobenzoate.
Chemical Property Profile of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate
Property Insights of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate
The XLogP value of 4.3 indicates that 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate. Following Lipinski's Rule of Five, 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate?
The CAS number of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate is 329933-72-4.
What is the molecular formula of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate?
The molecular formula of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate is C16H15NO4.
What is the molecular weight of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate?
The molecular weight of 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate is 285.10 g/mol.
Where can I buy 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate?
You can request a quote for 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylphenyl 3-methyl-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.