Ethyl 4-nitrobenzenecarboximidate
TL;DR: Ethyl 4-nitrobenzenecarboximidate (CAS 831-68-5) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-nitrobenzenecarboximidate
Also Known As: ethyl 4-nitrobenzenecarboximidate, ethyl 4-nitro-benzimidate, Ethoxy-(4-nitrophenyl)methanimine, 4-nitro-benzimidic acid ethyl ester, Ethyl 4-nitrobenzene-1-carboximidate
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.95667 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 345.57962 |
Chemical Identifiers
| CAS Number | 831-68-5 |
|---|---|
| SMILES | CCOC(=N)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Ethyl 4-nitrobenzenecarboximidate (CAS 831-68-5), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: ethyl 4-nitrobenzenecarboximidate.
Chemical Property Profile of Ethyl 4-nitrobenzenecarboximidate
Property Insights of Ethyl 4-nitrobenzenecarboximidate
The XLogP value of 1.95667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrobenzenecarboximidate. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrobenzenecarboximidate. Following Lipinski's Rule of Five, Ethyl 4-nitrobenzenecarboximidate has 1 hydrogen bond donor(s) and 4 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 4-nitrobenzenecarboximidate?
The CAS number of Ethyl 4-nitrobenzenecarboximidate is 831-68-5.
What is the molecular formula of Ethyl 4-nitrobenzenecarboximidate?
The molecular formula of Ethyl 4-nitrobenzenecarboximidate is C9H10N2O3.
What is the molecular weight of Ethyl 4-nitrobenzenecarboximidate?
The molecular weight of Ethyl 4-nitrobenzenecarboximidate is 194.07 g/mol.
Where can I buy Ethyl 4-nitrobenzenecarboximidate?
You can request a quote for Ethyl 4-nitrobenzenecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrobenzenecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrobenzenecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.