![methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate structure](/static/products/890/890596-87-9.png)
methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate
TL;DR: methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate (CAS 890596-87-9) is a chemical compound with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoyloxy]benzoate
Also Known As: ASN 14407685, VU0606084-1, F3230-0009, methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate, methyl 4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoyloxy]benzoate
| Molecular Formula | C16H17ClN2O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.93564 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.08768 |
| Heavy Atoms | 23 |
| Complexity | 722.42664 |
Chemical Identifiers
| CAS Number | 890596-87-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC(=O)OC2=CC=C(C=C2)C(=O)OC)C)Cl |
Product Overview
methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate (CAS 890596-87-9), with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol. IUPAC: methyl 4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoyloxy]benzoate.
Chemical Property Profile of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate
Property Insights of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate
The XLogP value of 2.93564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate. Following Lipinski's Rule of Five, methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate has 0 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 methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate?
The CAS number of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate is 890596-87-9.
What is the molecular formula of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate?
The molecular formula of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate is C16H17ClN2O4.
What is the molecular weight of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate?
The molecular weight of methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate is 336.09 g/mol.
Where can I buy methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate?
You can request a quote for methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]oxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.