![dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate structure](/static/products/5151/515151-30-1.webp)
dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate
TL;DR: dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate (CAS 515151-30-1) is a chemical compound with molecular formula C17H17F2N3O5 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate, dimethyl 5-(2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetamido)isophthalate, DIMETHYL 5-({2-[3-(DIFLUOROMETHYL)-5-METHYL-1H-PYRAZOL-1-YL]ACETYL}AMINO)ISOPHTHALATE, dimethyl 5-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C17H17F2N3O5 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 2.34102 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11362 |
| Heavy Atoms | 27 |
| Complexity | 845.199 |
Chemical Identifiers
| CAS Number | 515151-30-1 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(F)F |
Product Overview
dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate (CAS 515151-30-1), with molecular formula C17H17F2N3O5 and molecular weight 381.11 g/mol. IUPAC: dimethyl 5-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate
Property Insights of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate
The XLogP value of 2.34102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate has 1 hydrogen bond donor(s) and 6 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 dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate?
The CAS number of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate is 515151-30-1.
What is the molecular formula of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate?
The molecular formula of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate is C17H17F2N3O5.
What is the molecular weight of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate?
The molecular weight of dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate is 381.11 g/mol.
Where can I buy dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate?
You can request a quote for dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-({[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.