Diethyl (2-chloro-5-nitrobenzoyl)malonate
TL;DR: Diethyl (2-chloro-5-nitrobenzoyl)malonate (CAS 94088-68-3) is a chemical compound with molecular formula C14H14ClNO7 and molecular weight 343.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate
Also Known As: DIETHYL MALONATE, Diethyl (2-chloro-5-nitrobenzoyl)malonate, EINECS 302-070-0, Diethyl (2-chloro-5-nitrobenzoyl)propanedioate, diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate
| Molecular Formula | C14H14ClNO7 |
|---|---|
| Molecular Weight | 343.05 g/mol |
| LogP | 2.1733 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.04587 |
| Heavy Atoms | 23 |
| Complexity | 626.013 |
Chemical Identifiers
| CAS Number | 94088-68-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)OCC |
Product Overview
Diethyl (2-chloro-5-nitrobenzoyl)malonate (CAS 94088-68-3), with molecular formula C14H14ClNO7 and molecular weight 343.05 g/mol. IUPAC: diethyl 2-(2-chloro-5-nitrobenzoyl)propanedioate.
Chemical Property Profile of Diethyl (2-chloro-5-nitrobenzoyl)malonate
Property Insights of Diethyl (2-chloro-5-nitrobenzoyl)malonate
The XLogP value of 2.1733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-chloro-5-nitrobenzoyl)malonate. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2-chloro-5-nitrobenzoyl)malonate. Following Lipinski's Rule of Five, Diethyl (2-chloro-5-nitrobenzoyl)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 (2-chloro-5-nitrobenzoyl)malonate?
The CAS number of Diethyl (2-chloro-5-nitrobenzoyl)malonate is 94088-68-3.
What is the molecular formula of Diethyl (2-chloro-5-nitrobenzoyl)malonate?
The molecular formula of Diethyl (2-chloro-5-nitrobenzoyl)malonate is C14H14ClNO7.
What is the molecular weight of Diethyl (2-chloro-5-nitrobenzoyl)malonate?
The molecular weight of Diethyl (2-chloro-5-nitrobenzoyl)malonate is 343.05 g/mol.
Where can I buy Diethyl (2-chloro-5-nitrobenzoyl)malonate?
You can request a quote for Diethyl (2-chloro-5-nitrobenzoyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-chloro-5-nitrobenzoyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-chloro-5-nitrobenzoyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.