Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate
TL;DR: Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate (CAS 956264-48-5) is a chemical compound with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate
Also Known As: BAS 09727764, methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate, 1-(2-Cyano-ethyl)-3-naphthalen-2-yl-1H-pyrazole-4-carboxylic acid methyl ester, methyl 1-(2-cyanoethyl)-3-(naphthalen-2-yl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C18H15N3O2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.40358 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.11642 |
| Heavy Atoms | 23 |
| Complexity | 906.01587 |
Chemical Identifiers
| CAS Number | 956264-48-5 |
|---|---|
| SMILES | COC(=O)C1=CN(N=C1C2=CC3=CC=CC=C3C=C2)CCC#N |
Product Overview
Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate (CAS 956264-48-5), with molecular formula C18H15N3O2 and molecular weight 305.12 g/mol. IUPAC: methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate.
Chemical Property Profile of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate
Property Insights of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate
The XLogP value of 3.40358 indicates that Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate 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-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate?
The CAS number of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate is 956264-48-5.
What is the molecular formula of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate?
The molecular formula of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate is C18H15N3O2.
What is the molecular weight of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate?
The molecular weight of Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate is 305.12 g/mol.
Where can I buy Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate?
You can request a quote for Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(2-cyanoethyl)-3-naphthalen-2-ylpyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.