Diethyl (4-methoxy-2-nitrophenyl)malonate
TL;DR: Diethyl (4-methoxy-2-nitrophenyl)malonate (CAS 10565-15-8) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(4-methoxy-2-nitrophenyl)propanedioate
Also Known As: diethyl (4-methoxy-2-nitrophenyl)malonate, diethyl 4-methoxy-2-nitrophenylmalonate, diethyl 2-(4-methoxy-2-nitrophenyl)propanedioate, diethyl 2-(4-methoxy-2-nitrophenyl)malonate, diethyl 2-{2-nitro-4-methoxyphenyl}malonate
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 1.8132 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 552.3098 |
Chemical Identifiers
| CAS Number | 10565-15-8 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC |
Product Overview
Diethyl (4-methoxy-2-nitrophenyl)malonate (CAS 10565-15-8), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: diethyl 2-(4-methoxy-2-nitrophenyl)propanedioate.
Chemical Property Profile of Diethyl (4-methoxy-2-nitrophenyl)malonate
Property Insights of Diethyl (4-methoxy-2-nitrophenyl)malonate
The XLogP value of 1.8132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (4-methoxy-2-nitrophenyl)malonate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (4-methoxy-2-nitrophenyl)malonate. Following Lipinski's Rule of Five, Diethyl (4-methoxy-2-nitrophenyl)malonate 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 Diethyl (4-methoxy-2-nitrophenyl)malonate?
The CAS number of Diethyl (4-methoxy-2-nitrophenyl)malonate is 10565-15-8.
What is the molecular formula of Diethyl (4-methoxy-2-nitrophenyl)malonate?
The molecular formula of Diethyl (4-methoxy-2-nitrophenyl)malonate is C14H17NO7.
What is the molecular weight of Diethyl (4-methoxy-2-nitrophenyl)malonate?
The molecular weight of Diethyl (4-methoxy-2-nitrophenyl)malonate is 311.10 g/mol.
Where can I buy Diethyl (4-methoxy-2-nitrophenyl)malonate?
You can request a quote for Diethyl (4-methoxy-2-nitrophenyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-methoxy-2-nitrophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-methoxy-2-nitrophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.