Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate
TL;DR: Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate (CAS 512809-45-9) is a chemical compound with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloro-3-methylpyrazol-1-yl)acetate
Also Known As: ethyl (4-chloro-3-methyl-1H-pyrazol-1-yl)acetate, Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate, ethyl 2-(4-chloro-3-methylpyrazol-1-yl)acetate, ethyl 2-(4-chloro-3-methylpyrazolyl)acetate, Ethyl 2-(4-chloro-3-methyl-pyrazol-1-yl)acetate
| Molecular Formula | C8H11ClN2O2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 1.40802 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.0509 |
| Heavy Atoms | 13 |
| Complexity | 289.5927 |
Chemical Identifiers
| CAS Number | 512809-45-9 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C(=N1)C)Cl |
Product Overview
Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate (CAS 512809-45-9), with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol. IUPAC: ethyl 2-(4-chloro-3-methylpyrazol-1-yl)acetate.
Chemical Property Profile of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate
Property Insights of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate
The XLogP value of 1.40802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate 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 Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate?
The CAS number of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate is 512809-45-9.
What is the molecular formula of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate?
The molecular formula of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate is C8H11ClN2O2.
What is the molecular weight of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate?
The molecular weight of Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate is 202.05 g/mol.
Where can I buy Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate?
You can request a quote for Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.