5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
TL;DR: 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile (CAS 438236-31-8) is a chemical compound with molecular formula C9H4F4N4 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Also Known As: 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile, 5,7-BIS(DIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL CYANIDE, 2,4-bis(difluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-7-carbonitrile, RefChem:298776
| Molecular Formula | C9H4F4N4 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 2.47618 |
| Topological Polar Surface Area | 53.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.03722 |
| Heavy Atoms | 17 |
| Complexity | 598.79706 |
Chemical Identifiers
| CAS Number | 438236-31-8 |
|---|---|
| SMILES | C1=C(N2C(=C(C=N2)C#N)N=C1C(F)F)C(F)F |
Product Overview
5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile (CAS 438236-31-8), with molecular formula C9H4F4N4 and molecular weight 244.04 g/mol. IUPAC: 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
Chemical Property Profile of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
Property Insights of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
The XLogP value of 2.47618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile. With a topological polar surface area (TPSA) of 53.98 Ų, 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile 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 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile?
The CAS number of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile is 438236-31-8.
What is the molecular formula of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile?
The molecular formula of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile is C9H4F4N4.
What is the molecular weight of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile?
The molecular weight of 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile is 244.04 g/mol.
Where can I buy 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile?
You can request a quote for 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Bis(difluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.