5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile
TL;DR: 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile (CAS 2168302-19-8) is a chemical compound with molecular formula C8H5ClN4O and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Also Known As: 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-(chloromethyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-(chloromethyl)-4,7-dihydro-7-oxo-Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-(Chloromethyl)-4,7-dihydro-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
| Molecular Formula | C8H5ClN4O |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.01518 |
| Heavy Atoms | 14 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 2168302-19-8 |
|---|---|
| SMILES | C1=C(N=C2C(=CNN2C1=O)C#N)CCl |
| InChIKey | YMRXJHMUHLFZJJ-UHFFFAOYSA-N |
Product Overview
5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile (CAS 2168302-19-8), with molecular formula C8H5ClN4O and molecular weight 208.02 g/mol. IUPAC: 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
Chemical Property Profile of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile
Property Insights of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile 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 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile?
The CAS number of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile is 2168302-19-8.
What is the molecular formula of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile?
The molecular formula of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile is C8H5ClN4O.
What is the molecular weight of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile?
The molecular weight of 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile is 208.02 g/mol.
Where can I buy 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile?
You can request a quote for 5-(Chloromethyl)-7-hydroxypyrazolo(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-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-7-hydroxypyrazolo(1,5-a)pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.