![2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate structure](/static/products/4452/445239-49-6.webp)
2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445239-49-6) is a chemical compound with molecular formula C25H22F2N4O5S and molecular weight 528.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propyl 5-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate, 2-O-methyl 4-O-propyl 5-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate, 2-methyl 4-propyl 5-(7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H22F2N4O5S |
|---|---|
| Molecular Weight | 528.13 g/mol |
| LogP | 5.30952 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.12787 |
| Heavy Atoms | 37 |
| Complexity | 1483.5073 |
Chemical Identifiers
| CAS Number | 445239-49-6 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4 |
Product Overview
2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445239-49-6), with molecular formula C25H22F2N4O5S and molecular weight 528.13 g/mol. IUPAC: 2-O-methyl 4-O-propyl 5-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 5.30952 indicates that 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate 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 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 445239-49-6.
What is the molecular formula of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C25H22F2N4O5S.
What is the molecular weight of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 528.13 g/mol.
Where can I buy 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl 4-propyl 5-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.