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Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
TL;DR: Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate (CAS 349085-86-5) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
Also Known As: methyl 3-(mesitylcarbamoyl)-5-nitrobenzoate, methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate, AB00102838-01, methyl 3-nitro-5-[N-(2,4,6-trimethylphenyl)carbamoyl]benzoate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 349085-86-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C |
| InChIKey | JHAFTKCDDPTPIF-UHFFFAOYSA-N |
Product Overview
Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate (CAS 349085-86-5), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
Property Insights of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
The XLogP value of 3.5 indicates that Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate has 1 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 Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
The CAS number of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate is 349085-86-5.
What is the molecular formula of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
The molecular formula of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate is C18H18N2O5.
What is the molecular weight of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
The molecular weight of Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate is 342.12 g/mol.
Where can I buy Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
You can request a quote for Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.