Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate
TL;DR: Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate (CAS 35341-43-6) is a chemical compound with molecular formula C16H14N2O7 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate
Also Known As: dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate
| Molecular Formula | C16H14N2O7 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0801 |
| Heavy Atoms | 25 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 35341-43-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(C(=CC=C2)C(=O)OC)C(=C1)C(=O)OC)[N+](=O)[O-] |
| InChIKey | LXUPLESASYHDIB-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate (CAS 35341-43-6), with molecular formula C16H14N2O7 and molecular weight 346.08 g/mol. IUPAC: dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate.
Chemical Property Profile of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate
Property Insights of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate 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 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate?
The CAS number of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate is 35341-43-6.
What is the molecular formula of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate?
The molecular formula of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate is C16H14N2O7.
What is the molecular weight of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate?
The molecular weight of Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate is 346.08 g/mol.
Where can I buy Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate?
You can request a quote for Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-acetamido-4-nitronaphthalene-1,8-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.