methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate
TL;DR: methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate (CAS 91088-47-0) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylcarbamoyl)-5-nitrobenzoate
Also Known As: methyl 3-(dimethylcarbamoyl)-5-nitrobenzoate, methyl 5-nitro-3-(n,n-dimethyl)carbamoylbenzoate, methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 91088-47-0 |
|---|---|
| SMILES | CN(C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | FNYAWWIWBIZMRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate (CAS 91088-47-0), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: methyl 3-(dimethylcarbamoyl)-5-nitrobenzoate.
Chemical Property Profile of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate
Property Insights of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, methyl 3-(N,N-dimethylcarbamoyl)-5-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 methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate?
The CAS number of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate is 91088-47-0.
What is the molecular formula of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate?
The molecular formula of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate is C11H12N2O5.
What is the molecular weight of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate?
The molecular weight of methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate is 252.07 g/mol.
Where can I buy methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate?
You can request a quote for methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.