![methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate structure](/static/products/100/1001499-91-7.png)
methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate (CAS 1001499-91-7) is a chemical compound with molecular formula C12H10ClN3O5 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxylate
Also Known As: methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate, Methyl 1-((2-chloro-4-nitrophenoxy)methyl)-1H-pyrazole-3-carboxylate, methyl 1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxylate, 1-(2-Chloro-4-nitro-phenoxymethyl)-1H-pyrazole-3-carboxylic acid methyl ester, 1-(2-chloro-4-nitro-phenoxymethyl)-1 h-pyrazole-3-carboxylic acid methyl ester
| Molecular Formula | C12H10ClN3O5 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.2678 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.03088 |
| Heavy Atoms | 21 |
| Complexity | 685.2825 |
Chemical Identifiers
| CAS Number | 1001499-91-7 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate (CAS 1001499-91-7), with molecular formula C12H10ClN3O5 and molecular weight 311.03 g/mol. IUPAC: methyl 1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate
The XLogP value of 2.2678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate is 1001499-91-7.
What is the molecular formula of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate is C12H10ClN3O5.
What is the molecular weight of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate is 311.03 g/mol.
Where can I buy methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-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 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.