methylpalmitate
TL;DR: methylpalmitate (CAS 63134-25-8) is a chemical compound with molecular formula C16H9Cl3N4O4 and molecular weight 425.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Also Known As: methylpalmitate, 3-Nitro-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzamide, 1- -3- -5-pyrazolone, 1-(2',4',6'-trichlorophenyl)-3-(3-nitrobenzamido)-5-pyrazolone, 3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
| Molecular Formula | C16H9Cl3N4O4 |
|---|---|
| Molecular Weight | 425.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.96893 |
| Heavy Atoms | 27 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 63134-25-8 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | NVMCTYFWKJPYBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methylpalmitate (CAS 63134-25-8), with molecular formula C16H9Cl3N4O4 and molecular weight 425.97 g/mol. IUPAC: 3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.
Chemical Property Profile of methylpalmitate
Property Insights of methylpalmitate
The XLogP value of 3.9 indicates that methylpalmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methylpalmitate. Following Lipinski's Rule of Five, methylpalmitate has 1 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 methylpalmitate?
The CAS number of methylpalmitate is 63134-25-8.
What is the molecular formula of methylpalmitate?
The molecular formula of methylpalmitate is C16H9Cl3N4O4.
What is the molecular weight of methylpalmitate?
The molecular weight of methylpalmitate is 425.97 g/mol.
Where can I buy methylpalmitate?
You can request a quote for methylpalmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methylpalmitate?
Yes, KEHONG BIO provides custom synthesis services for methylpalmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.