4J-001
TL;DR: 4J-001 (CAS 318247-32-4) is a chemical compound with molecular formula C11H10Cl2F3N5O2S and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide
Also Known As: 4J-001, 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethyl-1H-pyrazole-4-sulfonohydrazide, 5-chloro-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,3-dimethylpyrazole-4-sulfonohydrazide, 5-chloro-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,3-dimethyl-1H-pyrazole-4-sulfonohydrazide
| Molecular Formula | C11H10Cl2F3N5O2S |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 2.75452 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.98843 |
| Heavy Atoms | 24 |
| Complexity | 882.5148 |
Chemical Identifiers
| CAS Number | 318247-32-4 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl)C |
Product Overview
4J-001 (CAS 318247-32-4), with molecular formula C11H10Cl2F3N5O2S and molecular weight 402.99 g/mol. IUPAC: 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide.
Chemical Property Profile of 4J-001
Property Insights of 4J-001
The XLogP value of 2.75452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4J-001. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-001. Following Lipinski's Rule of Five, 4J-001 has 2 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 4J-001?
The CAS number of 4J-001 is 318247-32-4.
What is the molecular formula of 4J-001?
The molecular formula of 4J-001 is C11H10Cl2F3N5O2S.
What is the molecular weight of 4J-001?
The molecular weight of 4J-001 is 402.99 g/mol.
Where can I buy 4J-001?
You can request a quote for 4J-001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-001?
Yes, KEHONG BIO provides custom synthesis services for 4J-001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.