![O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car structure](/static/products/655/655234-87-0.png)
O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car
TL;DR: O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car (CAS 655234-87-0) is a chemical compound with molecular formula C17H13ClF3N5O2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car, O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-carbohydroximamide, [(Z)-[Amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate, {amino[4-(trifluoromethyl)phenyl]methylidene}amino 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
| Molecular Formula | C17H13ClF3N5O2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.42622 |
| Topological Polar Surface Area | 95.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.07098 |
| Heavy Atoms | 28 |
| Complexity | 1090.8513 |
Chemical Identifiers
| CAS Number | 655234-87-0 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)O/N=C(/C3=CC=C(C=C3)C(F)(F)F)\N)C |
Product Overview
O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car (CAS 655234-87-0), with molecular formula C17H13ClF3N5O2 and molecular weight 411.07 g/mol. IUPAC: [(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car
Property Insights of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car
The XLogP value of 3.42622 indicates that O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.39 Ų falls within the moderate polarity range, balancing permeability and solubility for O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car. Following Lipinski's Rule of Five, O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car has 1 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 O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car?
The CAS number of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car is 655234-87-0.
What is the molecular formula of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car?
The molecular formula of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car is C17H13ClF3N5O2.
What is the molecular weight of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car?
The molecular weight of O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car is 411.07 g/mol.
Where can I buy O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car?
You can request a quote for O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car?
Yes, KEHONG BIO provides custom synthesis services for O1-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-4-(trifluoromethyl)benzene-1-car and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.