Diethyl (3-chloro-4-nitrophenyl)methylmalonate
TL;DR: Diethyl (3-chloro-4-nitrophenyl)methylmalonate (CAS 26039-74-7) is a chemical compound with molecular formula C14H16ClNO6 and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-chloro-4-nitrophenyl)methyl]propanedioate
Also Known As: Diethyl (3-chloro-4-nitrophenyl)methylmalonate, diethyl 2-[(3-chloro-4-nitrophenyl)methyl]propanedioate, diethyl(3-chloro-4-nitrobenzyl)propanedioate, Diethyl 2-(3-chloro-4-nitrobenzyl)malonate, Diethyl [(3-chloro-4-nitrophenyl)methyl]propanedioate
| Molecular Formula | C14H16ClNO6 |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.06662 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 26039-74-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)[N+](=O)[O-])Cl)C(=O)OCC |
| InChIKey | GWCWXTTXHCXPCW-UHFFFAOYSA-N |
Product Overview
Diethyl (3-chloro-4-nitrophenyl)methylmalonate (CAS 26039-74-7), with molecular formula C14H16ClNO6 and molecular weight 329.07 g/mol. IUPAC: diethyl 2-[(3-chloro-4-nitrophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl (3-chloro-4-nitrophenyl)methylmalonate
Property Insights of Diethyl (3-chloro-4-nitrophenyl)methylmalonate
The XLogP value of 3.3 indicates that Diethyl (3-chloro-4-nitrophenyl)methylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (3-chloro-4-nitrophenyl)methylmalonate. Following Lipinski's Rule of Five, Diethyl (3-chloro-4-nitrophenyl)methylmalonate has 0 hydrogen bond donor(s) and 6 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 (3-chloro-4-nitrophenyl)methylmalonate?
The CAS number of Diethyl (3-chloro-4-nitrophenyl)methylmalonate is 26039-74-7.
What is the molecular formula of Diethyl (3-chloro-4-nitrophenyl)methylmalonate?
The molecular formula of Diethyl (3-chloro-4-nitrophenyl)methylmalonate is C14H16ClNO6.
What is the molecular weight of Diethyl (3-chloro-4-nitrophenyl)methylmalonate?
The molecular weight of Diethyl (3-chloro-4-nitrophenyl)methylmalonate is 329.07 g/mol.
Where can I buy Diethyl (3-chloro-4-nitrophenyl)methylmalonate?
You can request a quote for Diethyl (3-chloro-4-nitrophenyl)methylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3-chloro-4-nitrophenyl)methylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-chloro-4-nitrophenyl)methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.