![Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate structure](/static/products/955/955975-23-2.png)
Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
TL;DR: Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate (CAS 955975-23-2) is a chemical compound with molecular formula C14H15ClN2O2 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
Also Known As: BAS 08303228, methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate, methyl 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate, methyl 3-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoate, 3-(4-Chloro-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid methyl ester
| Molecular Formula | C14H15ClN2O2 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 2.98824 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0822 |
| Heavy Atoms | 19 |
| Complexity | 619.9037 |
Chemical Identifiers
| CAS Number | 955975-23-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)OC)C)Cl |
Product Overview
Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate (CAS 955975-23-2), with molecular formula C14H15ClN2O2 and molecular weight 278.08 g/mol. IUPAC: methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate.
Chemical Property Profile of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
Property Insights of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
The XLogP value of 2.98824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate 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 Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The CAS number of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate is 955975-23-2.
What is the molecular formula of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The molecular formula of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate is C14H15ClN2O2.
What is the molecular weight of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The molecular weight of Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate is 278.08 g/mol.
Where can I buy Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
You can request a quote for Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.