Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate
TL;DR: Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate (CAS 55577-63-4) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(N-cyclohexyl-C-phenylcarbonimidoyl)-5-methylpyrazole-3-carboxylate
Also Known As: Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate, 5-25-04-00113 (Beilstein Handbook Reference), Methyl-1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate, 1-(N-Cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylic acid methyl ester, 1H-Pyrazole-3-carboxylic acid, 1-((cyclohexylimino)phenylmethyl)-5-methyl-, methyl ester
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 55577-63-4 |
|---|---|
| SMILES | CC1=CC(=NN1C(=NC2CCCCC2)C3=CC=CC=C3)C(=O)OC |
| InChIKey | CJQCJCJZHMQPPV-UHFFFAOYSA-N |
Product Overview
Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate (CAS 55577-63-4), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: methyl 1-(N-cyclohexyl-C-phenylcarbonimidoyl)-5-methylpyrazole-3-carboxylate.
Chemical Property Profile of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate
Property Insights of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate
The XLogP value of 4.3 indicates that Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate has 0 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 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate?
The CAS number of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate is 55577-63-4.
What is the molecular formula of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate?
The molecular formula of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate is C19H23N3O2.
What is the molecular weight of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate?
The molecular weight of Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate is 325.18 g/mol.
Where can I buy Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate?
You can request a quote for Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(N-cyclohexylbenzimidoyl)-5-methyl-3-pyrazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.