Methyl-4-hydroxy-3-nitrobenzimidate
TL;DR: Methyl-4-hydroxy-3-nitrobenzimidate (CAS 78200-33-6) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-3-nitrobenzenecarboximidate
Also Known As: Methyl-4-hydroxy-3-nitrobenzimidate, Methyl 4-hydroxy-3-nitrobenzimidat, methyl 4-hydroxy-3-nitrobenzimidate, methyl 4-hydroxy-3-nitrobenzenecarboximidate, methyl 4-hydroxy-3-nitrobenzene-1-carboximidate
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 78200-33-6 |
|---|---|
| SMILES | COC(=N)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | BSFKABRSENRNFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-4-hydroxy-3-nitrobenzimidate (CAS 78200-33-6), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: methyl 4-hydroxy-3-nitrobenzenecarboximidate.
Chemical Property Profile of Methyl-4-hydroxy-3-nitrobenzimidate
Property Insights of Methyl-4-hydroxy-3-nitrobenzimidate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4-hydroxy-3-nitrobenzimidate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-4-hydroxy-3-nitrobenzimidate. Following Lipinski's Rule of Five, Methyl-4-hydroxy-3-nitrobenzimidate has 2 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 Methyl-4-hydroxy-3-nitrobenzimidate?
The CAS number of Methyl-4-hydroxy-3-nitrobenzimidate is 78200-33-6.
What is the molecular formula of Methyl-4-hydroxy-3-nitrobenzimidate?
The molecular formula of Methyl-4-hydroxy-3-nitrobenzimidate is C8H8N2O4.
What is the molecular weight of Methyl-4-hydroxy-3-nitrobenzimidate?
The molecular weight of Methyl-4-hydroxy-3-nitrobenzimidate is 196.05 g/mol.
Where can I buy Methyl-4-hydroxy-3-nitrobenzimidate?
You can request a quote for Methyl-4-hydroxy-3-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-hydroxy-3-nitrobenzimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4-hydroxy-3-nitrobenzimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.