Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester
TL;DR: Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester (CAS 166522-39-0) 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.
methyl 4-methyl-3-nitrobenzenecarboximidate
Also Known As: 3-Nitro-p-toliminomethylaether, methyl 4-methyl-3-nitrobenzenecarboximidate, Methoxy-(4-methyl-3-nitro-phenyl)methanimine, Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester, Methyl 4-methyl-3-nitrobenzene-1-carboximidate
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.87499 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 387.6435 |
Chemical Identifiers
| CAS Number | 166522-39-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=N)OC)[N+](=O)[O-] |
Product Overview
Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester (CAS 166522-39-0), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: methyl 4-methyl-3-nitrobenzenecarboximidate.
Chemical Property Profile of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester
Property Insights of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester
The XLogP value of 1.87499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester. Following Lipinski's Rule of Five, Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester 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 Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester?
The CAS number of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester is 166522-39-0.
What is the molecular formula of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester?
The molecular formula of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester is C9H10N2O3.
What is the molecular weight of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester?
The molecular weight of Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester is 194.07 g/mol.
Where can I buy Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester?
You can request a quote for Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidic acid, 4-methyl-3-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.