Dimethyl 4-methoxy-2-nitrophenylmalonate
TL;DR: Dimethyl 4-methoxy-2-nitrophenylmalonate (CAS 147124-33-2) is a chemical compound with molecular formula C12H13NO7 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-methoxy-2-nitrophenyl)propanedioate
Also Known As: dimethyl 2-(4-methoxy-2-nitrophenyl)malonate, dimethyl 4-methoxy-2-nitrophenylmalonate, dimethyl 2-(4-methoxy-2-nitrophenyl)propanedioate, Dimethyl 2-(4-methoxy-2-nitro-phenyl)propanedioate
| Molecular Formula | C12H13NO7 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 1.033 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.0692 |
| Heavy Atoms | 20 |
| Complexity | 524.6074 |
Chemical Identifiers
| CAS Number | 147124-33-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(C(=O)OC)C(=O)OC)[N+](=O)[O-] |
Product Overview
Dimethyl 4-methoxy-2-nitrophenylmalonate (CAS 147124-33-2), with molecular formula C12H13NO7 and molecular weight 283.07 g/mol. IUPAC: dimethyl 2-(4-methoxy-2-nitrophenyl)propanedioate.
Chemical Property Profile of Dimethyl 4-methoxy-2-nitrophenylmalonate
Property Insights of Dimethyl 4-methoxy-2-nitrophenylmalonate
The XLogP value of 1.033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-methoxy-2-nitrophenylmalonate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-methoxy-2-nitrophenylmalonate. Following Lipinski's Rule of Five, Dimethyl 4-methoxy-2-nitrophenylmalonate has 0 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 4-methoxy-2-nitrophenylmalonate?
The CAS number of Dimethyl 4-methoxy-2-nitrophenylmalonate is 147124-33-2.
What is the molecular formula of Dimethyl 4-methoxy-2-nitrophenylmalonate?
The molecular formula of Dimethyl 4-methoxy-2-nitrophenylmalonate is C12H13NO7.
What is the molecular weight of Dimethyl 4-methoxy-2-nitrophenylmalonate?
The molecular weight of Dimethyl 4-methoxy-2-nitrophenylmalonate is 283.07 g/mol.
Where can I buy Dimethyl 4-methoxy-2-nitrophenylmalonate?
You can request a quote for Dimethyl 4-methoxy-2-nitrophenylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-methoxy-2-nitrophenylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-methoxy-2-nitrophenylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.