![rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate structure](/static/products/2248/2248279-89-0.webp)
rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
TL;DR: rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 2248279-89-0) is a chemical compound with molecular formula C11H15F2N3O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (5S,7S)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Also Known As: rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate, ethyl (5S,7S)-7-(difluoromethyl)-5-methyl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate, Ethyl (5S,7S)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
| Molecular Formula | C11H15F2N3O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 2.0701 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.11322 |
| Heavy Atoms | 18 |
| Complexity | 447.49677 |
Chemical Identifiers
| CAS Number | 2248279-89-0 |
|---|---|
| SMILES | CCOC(=O)C1=C2N[C@H](C[C@H](N2N=C1)C(F)F)C |
Product Overview
rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 2248279-89-0), with molecular formula C11H15F2N3O2 and molecular weight 259.11 g/mol. IUPAC: ethyl (5S,7S)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
Chemical Property Profile of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Property Insights of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
The XLogP value of 2.0701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate. With a topological polar surface area (TPSA) of 56.15 Ų, rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The CAS number of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is 2248279-89-0.
What is the molecular formula of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The molecular formula of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is C11H15F2N3O2.
What is the molecular weight of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The molecular weight of rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is 259.11 g/mol.
Where can I buy rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
You can request a quote for rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for rac-ethyl (5R,7R)-7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.