![Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate structure](/static/products/312/312601-77-7.png)
Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate
TL;DR: Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate (CAS 312601-77-7) is a chemical compound with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoate
Also Known As: BAS 06331099, methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate, methyl 4-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoate, 4-(4-Chloro-5-methyl-3-nitro-pyrazol-1-ylmethyl)-benzoic acid methyl ester, methyl 4-((4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzoate
| Molecular Formula | C13H12ClN3O4 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 2.58802 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.05164 |
| Heavy Atoms | 21 |
| Complexity | 694.1871 |
Chemical Identifiers
| CAS Number | 312601-77-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])Cl |
Product Overview
Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate (CAS 312601-77-7), with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol. IUPAC: methyl 4-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoate.
Chemical Property Profile of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate
Property Insights of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate
The XLogP value of 2.58802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate has 0 hydrogen bond donor(s) and 5 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 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate?
The CAS number of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate is 312601-77-7.
What is the molecular formula of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate?
The molecular formula of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate is C13H12ClN3O4.
What is the molecular weight of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate?
The molecular weight of Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate is 309.05 g/mol.
Where can I buy Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate?
You can request a quote for Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.