methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate
TL;DR: methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate (CAS 75092-27-2) is a chemical compound with molecular formula C6H6I2N2O2 and molecular weight 391.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-diiodo-1-methylpyrazole-5-carboxylate
Also Known As: methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate, methyl 4,5-diiodo-2-methylpyrazole-3-carboxylate, 1H-Pyrazole-5-carboxylic acid, 3,4-diiodo-1-methyl-, methyl ester, AI-034/31406043, methyl 3,4-diiodo-1-methylpyrazole-5-carboxylate
| Molecular Formula | C6H6I2N2O2 |
|---|---|
| Molecular Weight | 391.85 g/mol |
| LogP | 1.4159 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.85187 |
| Heavy Atoms | 12 |
| Complexity | 321.59314 |
Chemical Identifiers
| CAS Number | 75092-27-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)I)I)C(=O)OC |
Product Overview
methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate (CAS 75092-27-2), with molecular formula C6H6I2N2O2 and molecular weight 391.85 g/mol. IUPAC: methyl 3,4-diiodo-1-methylpyrazole-5-carboxylate.
Chemical Property Profile of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate
Property Insights of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 1.4159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate 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 methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate is 75092-27-2.
What is the molecular formula of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate is C6H6I2N2O2.
What is the molecular weight of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate is 391.85 g/mol.
Where can I buy methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.