![methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate structure](/static/products/6001/600122-75-6.webp)
methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate
TL;DR: methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate (CAS 600122-75-6) is a chemical compound with molecular formula C19H16N2O7 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
Also Known As: (E)-dimethyl 5-(3-(2-nitrophenyl)acrylamido)isophthalate, DIMETHYL 5-{[(E)-3-(2-NITROPHENYL)-2-PROPENOYL]AMINO}ISOPHTHALATE, dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(2E)-3-(2-nitrophenyl)prop-2-enoyl]amino}benzene-1,3-dicarboxylate, methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate
| Molecular Formula | C19H16N2O7 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 2.8199 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.09576 |
| Heavy Atoms | 28 |
| Complexity | 932.2545 |
Chemical Identifiers
| CAS Number | 600122-75-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate (CAS 600122-75-6), with molecular formula C19H16N2O7 and molecular weight 384.10 g/mol. IUPAC: dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate
Property Insights of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate
The XLogP value of 2.8199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate 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 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate?
The CAS number of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate is 600122-75-6.
What is the molecular formula of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate?
The molecular formula of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate is C19H16N2O7.
What is the molecular weight of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate?
The molecular weight of methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate is 384.10 g/mol.
Where can I buy methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate?
You can request a quote for methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]-3-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.