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Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
TL;DR: Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate (CAS 332116-76-4) is a chemical compound with molecular formula C12H14N2O7 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
Also Known As: BAS 01129241, methyl 2-(4,5-dimethoxy-2-nitrobenzamido)acetate, methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate, methyl N-[(4,5-dimethoxy-2-nitrophenyl)carbonyl]glycinate, (4,5-Dimethoxy-2-nitro-benzoylamino)-acetic acid methyl ester
| Molecular Formula | C12H14N2O7 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.0801 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 332116-76-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NCC(=O)OC)[N+](=O)[O-])OC |
| InChIKey | GMSFVAGVIVEHRC-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate (CAS 332116-76-4), with molecular formula C12H14N2O7 and molecular weight 298.08 g/mol. IUPAC: methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate.
Chemical Property Profile of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
Property Insights of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate. Following Lipinski's Rule of Five, Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate has 1 hydrogen bond donor(s) and 7 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 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
The CAS number of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate is 332116-76-4.
What is the molecular formula of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
The molecular formula of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate is C12H14N2O7.
What is the molecular weight of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
The molecular weight of Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate is 298.08 g/mol.
Where can I buy Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
You can request a quote for Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.