ID 622
TL;DR: ID 622 (CAS 33691-06-4) is a chemical compound with molecular formula C18H16ClFN2O3S and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ID 622
7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: 5-24-04-00328 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(2-(methylsulfonyl)ethyl)-, 7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one, 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-(methylsulfonyl)ethyl)-2H-1,4-benzodiazepin-2-one, 1-(beta-methylsulfonylethyl)-5-(o-fluorophenyl)-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C18H16ClFN2O3S |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.05542 |
| Heavy Atoms | 26 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 33691-06-4 |
|---|---|
| SMILES | CS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F |
| InChIKey | JHSVIYYVRLIPDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ID 622 (CAS 33691-06-4), with molecular formula C18H16ClFN2O3S and molecular weight 394.06 g/mol. IUPAC: 7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of ID 622
Property Insights of ID 622
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ID 622. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ID 622. Following Lipinski's Rule of Five, ID 622 has 0 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 ID 622?
The CAS number of ID 622 is 33691-06-4.
What is the molecular formula of ID 622?
The molecular formula of ID 622 is C18H16ClFN2O3S.
What is the molecular weight of ID 622?
The molecular weight of ID 622 is 394.06 g/mol.
Where can I buy ID 622?
You can request a quote for ID 622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ID 622?
Yes, KEHONG BIO provides custom synthesis services for ID 622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.