![1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole structure](/static/products/512/512786-42-4.png)
1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole
TL;DR: 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole (CAS 512786-42-4) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfonylphenyl)-4,5-dihydro-3H-benzo[e]indazole
Also Known As: 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole, 1-[4-(Methanesulfonyl)phenyl]-4,5-dihydro-2H-benzo[e]indazole, 2H-Benz[e]indazole, 4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.2458 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 986.11597 |
Chemical Identifiers
| CAS Number | 512786-42-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=NNC3=C2C4=CC=CC=C4CC3 |
Product Overview
1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole (CAS 512786-42-4), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 1-(4-methylsulfonylphenyl)-4,5-dihydro-3H-benzo[e]indazole.
Chemical Property Profile of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole
Property Insights of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole
The XLogP value of 3.2458 indicates that 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole. Following Lipinski's Rule of Five, 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole has 1 hydrogen bond donor(s) and 3 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-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole?
The CAS number of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole is 512786-42-4.
What is the molecular formula of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole?
The molecular formula of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole is C18H16N2O2S.
What is the molecular weight of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole?
The molecular weight of 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole is 324.09 g/mol.
Where can I buy 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole?
You can request a quote for 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methanesulfonyl-phenyl)-4,5-dihydro-2H-benzo[e]indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.