![N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea structure](/static/products/6506/650615-81-9.webp)
N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea
TL;DR: N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea (CAS 650615-81-9) is a chemical compound with molecular formula C18H12ClF6N5O2 and molecular weight 479.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
Also Known As: N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea, N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide, N-[(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl, 1-[3,5-bis(trifluoromethyl)phenyl]-3-{4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl}urea
| Molecular Formula | C18H12ClF6N5O2 |
|---|---|
| Molecular Weight | 479.06 g/mol |
| LogP | 4.92962 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 479.05838 |
| Heavy Atoms | 32 |
| Complexity | 1203.0441 |
Chemical Identifiers
| CAS Number | 650615-81-9 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C |
Product Overview
N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea (CAS 650615-81-9), with molecular formula C18H12ClF6N5O2 and molecular weight 479.06 g/mol. IUPAC: N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
Chemical Property Profile of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea
Property Insights of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea
The XLogP value of 4.92962 indicates that N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea has 2 hydrogen bond donor(s) and 4 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 N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea?
The CAS number of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea is 650615-81-9.
What is the molecular formula of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea?
The molecular formula of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea is C18H12ClF6N5O2.
What is the molecular weight of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea?
The molecular weight of N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea is 479.06 g/mol.
Where can I buy N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea?
You can request a quote for N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)carbonyl]-N'-[3,5-di(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.