![Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- structure](/static/products/473/473920-64-8.png)
Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-
TL;DR: Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- (CAS 473920-64-8) is a chemical compound with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]benzonitrile
Also Known As: 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]benzonitrile, Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-, Ethyl 2,3-dihydrobenzo[1,4]dioxine-2-carboxylate, 3-Chloro-5-((3,5-dimethyl-1H-pyrazol-4-yl)oxy)benzonitrile
| Molecular Formula | C12H10ClN3O |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 3.34392 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05124 |
| Heavy Atoms | 17 |
| Complexity | 578.78357 |
Chemical Identifiers
| CAS Number | 473920-64-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)OC2=CC(=CC(=C2)C#N)Cl |
Product Overview
Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- (CAS 473920-64-8), with molecular formula C12H10ClN3O and molecular weight 247.05 g/mol. IUPAC: 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]benzonitrile.
Chemical Property Profile of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-
Property Insights of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-
The XLogP value of 3.34392 indicates that Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-. Following Lipinski's Rule of Five, Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- has 1 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 Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-?
The CAS number of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- is 473920-64-8.
What is the molecular formula of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-?
The molecular formula of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- is C12H10ClN3O.
What is the molecular weight of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-?
The molecular weight of Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- is 247.05 g/mol.
Where can I buy Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-?
You can request a quote for Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.