Methyl 4-nitrobenzimidate
TL;DR: Methyl 4-nitrobenzimidate (CAS 52708-02-8) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitrobenzenecarboximidate
Also Known As: methyl 4-nitrobenzimidate, methyl 4-nitrobenzenecarboximidate, methoxy(4-nitrophenyl)methanimine, Methoxy-(4-nitrophenyl)methanimine, methyl 4-nitrobenzene-1-carboximidate
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.56657 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 331.7473 |
Chemical Identifiers
| CAS Number | 52708-02-8 |
|---|---|
| SMILES | COC(=N)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Methyl 4-nitrobenzimidate (CAS 52708-02-8), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: methyl 4-nitrobenzenecarboximidate.
Chemical Property Profile of Methyl 4-nitrobenzimidate
Property Insights of Methyl 4-nitrobenzimidate
The XLogP value of 1.56657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitrobenzimidate. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-nitrobenzimidate. Following Lipinski's Rule of Five, Methyl 4-nitrobenzimidate 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 Methyl 4-nitrobenzimidate?
The CAS number of Methyl 4-nitrobenzimidate is 52708-02-8.
What is the molecular formula of Methyl 4-nitrobenzimidate?
The molecular formula of Methyl 4-nitrobenzimidate is C8H8N2O3.
What is the molecular weight of Methyl 4-nitrobenzimidate?
The molecular weight of Methyl 4-nitrobenzimidate is 180.05 g/mol.
Where can I buy Methyl 4-nitrobenzimidate?
You can request a quote for Methyl 4-nitrobenzimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitrobenzimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitrobenzimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.