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Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate (CAS 349399-33-3) is a chemical compound with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(2-nitrophenyl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: BIM-0048510.P001, dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate, dimethyl 5-(2-(2-nitrophenyl)acetamido)isophthalate, dimethyl 5-{[(2-nitrophenyl)acetyl]amino}benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-[2-(2-nitrophenyl)acetylamino]benzoate
| Molecular Formula | C18H16N2O7 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 2.3492 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.09576 |
| Heavy Atoms | 27 |
| Complexity | 874.0832 |
Chemical Identifiers
| CAS Number | 349399-33-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate (CAS 349399-33-3), with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol. IUPAC: dimethyl 5-[[2-(2-nitrophenyl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate
The XLogP value of 2.3492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate 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 Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate is 349399-33-3.
What is the molecular formula of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate is C18H16N2O7.
What is the molecular weight of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate is 372.10 g/mol.
Where can I buy Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(2-nitrophenyl)acetyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.