Ethyl 3-nitrobenzenecarboximidate
TL;DR: Ethyl 3-nitrobenzenecarboximidate (CAS 831-65-2) 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 3-nitrobenzenecarboximidate
Also Known As: ethyl 3-nitrobenzenecarboximidate, ethyl 3-nitrobenzoimidate, ETHYL 3-NITROBENZIMIDATE, Ethoxy-(3-nitrophenyl)methanimine, 3-Nitrobenzimidic acid ethyl ester
| 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 | 362.82962 |
Chemical Identifiers
| CAS Number | 831-65-2 |
|---|---|
| SMILES | CCOC(=N)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Ethyl 3-nitrobenzenecarboximidate (CAS 831-65-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: ethyl 3-nitrobenzenecarboximidate.
Chemical Property Profile of Ethyl 3-nitrobenzenecarboximidate
Property Insights of Ethyl 3-nitrobenzenecarboximidate
The XLogP value of 1.95667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-nitrobenzenecarboximidate. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-nitrobenzenecarboximidate. Following Lipinski's Rule of Five, Ethyl 3-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 3-nitrobenzenecarboximidate?
The CAS number of Ethyl 3-nitrobenzenecarboximidate is 831-65-2.
What is the molecular formula of Ethyl 3-nitrobenzenecarboximidate?
The molecular formula of Ethyl 3-nitrobenzenecarboximidate is C9H10N2O3.
What is the molecular weight of Ethyl 3-nitrobenzenecarboximidate?
The molecular weight of Ethyl 3-nitrobenzenecarboximidate is 194.07 g/mol.
Where can I buy Ethyl 3-nitrobenzenecarboximidate?
You can request a quote for Ethyl 3-nitrobenzenecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-nitrobenzenecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-nitrobenzenecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.