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ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate
TL;DR: ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate (CAS 136548-98-6) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5H-imidazo[1,2-b]pyrazole-7-carboxylate
Also Known As: Ethyl 1H-imidazo[1,2-b]pyrazole-7-carboxylate, ethyl 5H-imidazo[1,2-b]pyrazole-7-carboxylate, ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate, J1.060.940B, Ethyl1H-imidazo[1,2-b]pyrazole-7-carboxylate
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 136548-98-6 |
|---|---|
| SMILES | CCOC(=O)C1=CNN2C1=NC=C2 |
| InChIKey | YHKDPXNVHBXOIU-UHFFFAOYSA-N |
Product Overview
ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate (CAS 136548-98-6), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: ethyl 5H-imidazo[1,2-b]pyrazole-7-carboxylate.
Chemical Property Profile of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate
Property Insights of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate. With a topological polar surface area (TPSA) of 59.4 Ų, ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate has 1 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 ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate?
The CAS number of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate is 136548-98-6.
What is the molecular formula of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate?
The molecular formula of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate is C8H9N3O2.
What is the molecular weight of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate?
The molecular weight of ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate is 179.07 g/mol.
Where can I buy ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate?
You can request a quote for ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1H-pyrazolo[1,5-a]imidazole-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.