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Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
TL;DR: Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 656818-50-7) is a chemical compound with molecular formula C9H8ClN3O3 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Also Known As: methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate, ChemDiv2_003267, Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]-pyrimidine-3-carboxylate, methyl 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate, Methyl 5-(chloromethyl)-7-hydroxypyrazolo1,5-a-pyrimidine-3-carboxylate
| Molecular Formula | C9H8ClN3O3 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 0.548 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.02542 |
| Heavy Atoms | 16 |
| Complexity | 601.5553 |
Chemical Identifiers
| CAS Number | 656818-50-7 |
|---|---|
| SMILES | COC(=O)C1=CNN2C1=NC(=CC2=O)CCl |
Product Overview
Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 656818-50-7), with molecular formula C9H8ClN3O3 and molecular weight 241.03 g/mol. IUPAC: methyl 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
Chemical Property Profile of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
Property Insights of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
The XLogP value of 0.548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(chloromethyl)-7-hydroxypyrazolo[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 Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate?
The CAS number of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate is 656818-50-7.
What is the molecular formula of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate?
The molecular formula of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate is C9H8ClN3O3.
What is the molecular weight of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate?
The molecular weight of Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate is 241.03 g/mol.
Where can I buy Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate?
You can request a quote for Methyl 5-(chloromethyl)-7-hydroxypyrazolo[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 Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.