![1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea structure](/static/products/6802/680211-65-8.webp)
1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea
TL;DR: 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea (CAS 680211-65-8) is a chemical compound with molecular formula C16H15Cl2N5O2S and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]urea
Also Known As: 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea, 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-, 3-{4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl}-1-[(4-chlorophenyl)(methyl)oxo-$l^{6}-sulfanylidene]urea, N-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N'-[1-(4-chlorophenyl)-1-methyl-1-oxo-lambd, N-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-N'-[1-(4-chlorophenyl)-1-methyl-1-oxo-lambda-6--sulphanylidene]urea
| Molecular Formula | C16H15Cl2N5O2S |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 4.27232 |
| Topological Polar Surface Area | 89.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.03235 |
| Heavy Atoms | 26 |
| Complexity | 1131.7428 |
Chemical Identifiers
| CAS Number | 680211-65-8 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)NC(=O)N=S(=O)(C)C3=CC=C(C=C3)Cl)C |
Product Overview
1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea (CAS 680211-65-8), with molecular formula C16H15Cl2N5O2S and molecular weight 411.03 g/mol. IUPAC: 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]urea.
Chemical Property Profile of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea
Property Insights of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea
The XLogP value of 4.27232 indicates that 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea. Following Lipinski's Rule of Five, 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea has 1 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 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea?
The CAS number of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea is 680211-65-8.
What is the molecular formula of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea?
The molecular formula of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea is C16H15Cl2N5O2S.
What is the molecular weight of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea?
The molecular weight of 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea is 411.03 g/mol.
Where can I buy 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea?
You can request a quote for 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.