3-Phenyl-5-fluoroindazole
TL;DR: 3-Phenyl-5-fluoroindazole (CAS 57616-47-4) is a chemical compound with molecular formula C19H19Cl2N3S and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylethanamine
Also Known As: 3-Phenyl-5-fluoroindazole, NCI60_003541, NCI60_003542, 2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine, 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]su
| Molecular Formula | C19H19Cl2N3S |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.0677 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 57616-47-4 |
|---|---|
| SMILES | CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl |
| InChIKey | ARYQUDZGCDBUOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-5-fluoroindazole (CAS 57616-47-4), with molecular formula C19H19Cl2N3S and molecular weight 391.07 g/mol. IUPAC: 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylethanamine.
Chemical Property Profile of 3-Phenyl-5-fluoroindazole
Property Insights of 3-Phenyl-5-fluoroindazole
The XLogP value of 4.4 indicates that 3-Phenyl-5-fluoroindazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 3-Phenyl-5-fluoroindazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-fluoroindazole has 0 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 3-Phenyl-5-fluoroindazole?
The CAS number of 3-Phenyl-5-fluoroindazole is 57616-47-4.
What is the molecular formula of 3-Phenyl-5-fluoroindazole?
The molecular formula of 3-Phenyl-5-fluoroindazole is C19H19Cl2N3S.
What is the molecular weight of 3-Phenyl-5-fluoroindazole?
The molecular weight of 3-Phenyl-5-fluoroindazole is 391.07 g/mol.
Where can I buy 3-Phenyl-5-fluoroindazole?
You can request a quote for 3-Phenyl-5-fluoroindazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-fluoroindazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-fluoroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.