Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
TL;DR: Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate (CAS 175153-39-6) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-4-pyrazol-1-ylbenzoate
Also Known As: Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate, methyl 2-chloro-4-pyrazol-1-ylbenzoate, methyl 2-chloro-4-pyrazolylbenzoate, methylchloropyrazolylbenzenecarboxylate, Methyl 2-chloro-4-(1H-pyrazol-1-yl)-benzenecarboxylate
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.3123 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 508.70804 |
Chemical Identifiers
| CAS Number | 175153-39-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N2C=CC=N2)Cl |
Product Overview
Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate (CAS 175153-39-6), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: methyl 2-chloro-4-pyrazol-1-ylbenzoate.
Chemical Property Profile of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
Property Insights of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
The XLogP value of 2.3123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate. With a topological polar surface area (TPSA) of 44.12 Ų, Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate 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 2-chloro-4-(1H-pyrazol-1-yl)benzoate?
The CAS number of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate is 175153-39-6.
What is the molecular formula of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate?
The molecular formula of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate is C11H9ClN2O2.
What is the molecular weight of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate?
The molecular weight of Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate is 236.04 g/mol.
Where can I buy Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate?
You can request a quote for Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.