![dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate structure](/static/products/4452/445232-95-1.webp)
dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate
TL;DR: dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate (CAS 445232-95-1) is a chemical compound with molecular formula C25H20F2N4O6 and molecular weight 510.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate, dimethyl 5-[[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-[7-(DIFLUOROMETHYL)-5-(4-METHOXYPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-AMIDO]BENZENE-1,3-DICARBOXYLATE, dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-(7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamido)isophthalate
| Molecular Formula | C25H20F2N4O6 |
|---|---|
| Molecular Weight | 510.14 g/mol |
| LogP | 4.168 |
| Topological Polar Surface Area | 121.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.1351 |
| Heavy Atoms | 37 |
| Complexity | 1467.0968 |
Chemical Identifiers
| CAS Number | 445232-95-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate (CAS 445232-95-1), with molecular formula C25H20F2N4O6 and molecular weight 510.14 g/mol. IUPAC: dimethyl 5-[[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate
Property Insights of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate
The XLogP value of 4.168 indicates that dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.12 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate?
The CAS number of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate is 445232-95-1.
What is the molecular formula of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate?
The molecular formula of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate is C25H20F2N4O6.
What is the molecular weight of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate?
The molecular weight of dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate is 510.14 g/mol.
Where can I buy dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate?
You can request a quote for dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}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-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-({[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.