![ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate structure](/static/products/587/58745-08-7.png)
ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate
TL;DR: ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate (CAS 58745-08-7) is a chemical compound with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate
Also Known As: Isothioacetanilid-S-methylaether, ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate, ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinecarboxylate, ethyl N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate
| Molecular Formula | C11H11N3O6 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 1.4035 |
| Topological Polar Surface Area | 112.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0648 |
| Heavy Atoms | 20 |
| Complexity | 571.52203 |
Chemical Identifiers
| CAS Number | 58745-08-7 |
|---|---|
| SMILES | CCOC(=O)N/N=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
Product Overview
ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate (CAS 58745-08-7), with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol. IUPAC: ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate.
Chemical Property Profile of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate
Property Insights of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate
The XLogP value of 1.4035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate. The TPSA of 112.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate. Following Lipinski's Rule of Five, ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate 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 ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate?
The CAS number of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate is 58745-08-7.
What is the molecular formula of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate?
The molecular formula of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate is C11H11N3O6.
What is the molecular weight of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate?
The molecular weight of ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate is 281.06 g/mol.
Where can I buy ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate?
You can request a quote for ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)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-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.