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Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate
TL;DR: Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate (CAS 328259-30-9) is a chemical compound with molecular formula C18H16N2O8 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
Also Known As: BAS 00785082, dimethyl 2-(4-methoxy-3-nitrobenzamido)terephthalate, Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate, Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate #, 2-(4-Methoxy-3-nitro-benzoylamino)-terephthalic acid dimethyl ester
| Molecular Formula | C18H16N2O8 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.09067 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 328259-30-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-] |
| InChIKey | DNBIZAYCOTVFIS-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate (CAS 328259-30-9), with molecular formula C18H16N2O8 and molecular weight 388.09 g/mol. IUPAC: dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate
Property Insights of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate has 1 hydrogen bond donor(s) and 8 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 Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate?
The CAS number of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate is 328259-30-9.
What is the molecular formula of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate?
The molecular formula of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate is C18H16N2O8.
What is the molecular weight of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate?
The molecular weight of Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate is 388.09 g/mol.
Where can I buy Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate?
You can request a quote for Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.