![Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate structure](/static/products/837/83785-12-0.png)
Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate
TL;DR: Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate (CAS 83785-12-0) is a chemical compound with molecular formula C12H13NO8 and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-methoxy-2-oxoethoxy)-3-nitrophenoxy]acetate
Also Known As: dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate, methyl 2-[4-(2-methoxy-2-oxoethoxy)-3-nitrophenoxy]acetate, methyl 2-[4-(2-methoxy-2-oxoethoxy)-2-nitrophenoxy]acetate, Dimethyl 2,2'-((2-nitro-1,4-phenylene)bis(oxy))diacetate, A4118/0175588
| Molecular Formula | C12H13NO8 |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 0.6984 |
| Topological Polar Surface Area | 114.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.06412 |
| Heavy Atoms | 21 |
| Complexity | 542.059 |
Chemical Identifiers
| CAS Number | 83785-12-0 |
|---|---|
| SMILES | COC(=O)COC1=CC(=C(C=C1)OCC(=O)OC)[N+](=O)[O-] |
Product Overview
Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate (CAS 83785-12-0), with molecular formula C12H13NO8 and molecular weight 299.06 g/mol. IUPAC: methyl 2-[4-(2-methoxy-2-oxoethoxy)-3-nitrophenoxy]acetate.
Chemical Property Profile of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate
Property Insights of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate
The XLogP value of 0.6984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate. The TPSA of 114.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate. Following Lipinski's Rule of Five, Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate has 0 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 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate?
The CAS number of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate is 83785-12-0.
What is the molecular formula of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate?
The molecular formula of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate is C12H13NO8.
What is the molecular weight of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate?
The molecular weight of Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate is 299.06 g/mol.
Where can I buy Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate?
You can request a quote for Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-[(2-nitro-1,4-phenylene)bis(oxy)]diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.