Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate
TL;DR: Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate (CAS 103976-16-5) is a chemical compound with molecular formula C14H15ClN2O6 and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-chloro-2-nitroanilino)methylidene]propanedioate
Also Known As: Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate, diethyl 2-[(4-chloro-2-nitroanilino)methylene]malonate, diethyl N-(4-chloro-2-nitrophenyl)-aminomethylenmalonate, diethyl 2-[(4-chloro-2-nitroanilino)methylidene]propanedioate, diethyl 2-{[(4-chloro-2-nitrophenyl)amino]methylene}propane-1,3-dioate
| Molecular Formula | C14H15ClN2O6 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 2.6702 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.06186 |
| Heavy Atoms | 23 |
| Complexity | 624.1547 |
Chemical Identifiers
| CAS Number | 103976-16-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)OCC |
Product Overview
Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate (CAS 103976-16-5), with molecular formula C14H15ClN2O6 and molecular weight 342.06 g/mol. IUPAC: diethyl 2-[(4-chloro-2-nitroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate
Property Insights of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate
The XLogP value of 2.6702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate has 1 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-((4-chloro-2-nitroanilino)methylene)malonate?
The CAS number of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate is 103976-16-5.
What is the molecular formula of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate?
The molecular formula of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate is C14H15ClN2O6.
What is the molecular weight of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate?
The molecular weight of Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate is 342.06 g/mol.
Where can I buy Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate?
You can request a quote for Diethyl 2-((4-chloro-2-nitroanilino)methylene)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-((4-chloro-2-nitroanilino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-((4-chloro-2-nitroanilino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.