(5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate
TL;DR: (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate (CAS 74451-91-5) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate
Also Known As: (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate, J1.786.753I, 3-methyl-1-phenyl-1H-pyrazol-5-yl 4-chlorobenzoate, 4-Chlorobenzoic acid 1-phenyl-3-methyl-1H-pyrazole-5-yl ester, Benzoic acid, 4-chloro-, 3-methyl-1-phenyl-1H-pyrazol-5-yl ester
| Molecular Formula | C17H13ClN2O2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 4.05332 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06656 |
| Heavy Atoms | 22 |
| Complexity | 795.2861 |
Chemical Identifiers
| CAS Number | 74451-91-5 |
|---|---|
| SMILES | CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
(5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate (CAS 74451-91-5), with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol. IUPAC: (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate.
Chemical Property Profile of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate
Property Insights of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate
The XLogP value of 4.05332 indicates that (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate has 0 hydrogen bond donor(s) and 3 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 (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate?
The CAS number of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate is 74451-91-5.
What is the molecular formula of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate?
The molecular formula of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate is C17H13ClN2O2.
What is the molecular weight of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate?
The molecular weight of (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate is 312.07 g/mol.
Where can I buy (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate?
You can request a quote for (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-methyl-2-phenylpyrazol-3-yl) 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.