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Diethyl [(4-nitrophenyl)methylene]biscarbamate
TL;DR: Diethyl [(4-nitrophenyl)methylene]biscarbamate (CAS 43044-14-0) is a chemical compound with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate
Also Known As: p-Nitrobenzaldehydbisurethan, Diethyl [(4-nitrophenyl)methylene]biscarbamate, ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate, Carbamic acid, [(4-nitrophenyl)methylene]bis-, diethyl ester, ethyl [(ethoxycarbonyl)amino]{4-nitrophenyl}methylcarbamate
| Molecular Formula | C13H17N3O6 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.11172 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 43044-14-0 |
|---|---|
| SMILES | CCOC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC |
| InChIKey | KQKKAPWFMXOUDG-UHFFFAOYSA-N |
Product Overview
Diethyl [(4-nitrophenyl)methylene]biscarbamate (CAS 43044-14-0), with molecular formula C13H17N3O6 and molecular weight 311.11 g/mol. IUPAC: ethyl N-[(ethoxycarbonylamino)-(4-nitrophenyl)methyl]carbamate.
Chemical Property Profile of Diethyl [(4-nitrophenyl)methylene]biscarbamate
Property Insights of Diethyl [(4-nitrophenyl)methylene]biscarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [(4-nitrophenyl)methylene]biscarbamate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [(4-nitrophenyl)methylene]biscarbamate. Following Lipinski's Rule of Five, Diethyl [(4-nitrophenyl)methylene]biscarbamate has 2 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 [(4-nitrophenyl)methylene]biscarbamate?
The CAS number of Diethyl [(4-nitrophenyl)methylene]biscarbamate is 43044-14-0.
What is the molecular formula of Diethyl [(4-nitrophenyl)methylene]biscarbamate?
The molecular formula of Diethyl [(4-nitrophenyl)methylene]biscarbamate is C13H17N3O6.
What is the molecular weight of Diethyl [(4-nitrophenyl)methylene]biscarbamate?
The molecular weight of Diethyl [(4-nitrophenyl)methylene]biscarbamate is 311.11 g/mol.
Where can I buy Diethyl [(4-nitrophenyl)methylene]biscarbamate?
You can request a quote for Diethyl [(4-nitrophenyl)methylene]biscarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [(4-nitrophenyl)methylene]biscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(4-nitrophenyl)methylene]biscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.