![ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate structure](/static/products/7883/788-31-8.webp)
ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate
TL;DR: ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate (CAS 788-31-8) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate
Also Known As: ethyl N-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 788-31-8 |
|---|---|
| SMILES | CCOC(=O)N(C)N=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MFRIQCJGBPLFMT-UHFFFAOYSA-N |
Product Overview
ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate (CAS 788-31-8), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate.
Chemical Property Profile of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate
Property Insights of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate. Following Lipinski's Rule of Five, ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate has 0 hydrogen bond donor(s) and 5 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 ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate?
The CAS number of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate is 788-31-8.
What is the molecular formula of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate?
The molecular formula of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate is C11H13N3O4.
What is the molecular weight of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate?
The molecular weight of ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate is 251.09 g/mol.
Where can I buy ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate?
You can request a quote for ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-methyl-N-[(4-nitrophenyl)methylideneamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.