1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-
TL;DR: 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- (CAS 81744-06-1) is a chemical compound with molecular formula C13H8ClNOSe and molecular weight 308.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-phenyl-1,2-benzoselenazol-3-one
Also Known As: 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-, 6-Chloro-2-phenyl-1,2-benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-1,2-benzoselenazol-3-one, 6-Chloro-2-phenyl-1,2-benzoselenazol-3(2H)-one, RefChem:215556
| Molecular Formula | C13H8ClNOSe |
|---|---|
| Molecular Weight | 308.95 g/mol |
| LogP | 2.7011 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.94595 |
| Heavy Atoms | 17 |
| Complexity | 730.00934 |
Chemical Identifiers
| CAS Number | 81744-06-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C=C(C=C3)Cl |
Product Overview
1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- (CAS 81744-06-1), with molecular formula C13H8ClNOSe and molecular weight 308.95 g/mol. IUPAC: 6-chloro-2-phenyl-1,2-benzoselenazol-3-one.
Chemical Property Profile of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-
Property Insights of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-
The XLogP value of 2.7011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-. With a topological polar surface area (TPSA) of 22.0 Ų, 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- has 0 hydrogen bond donor(s) and 1 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 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-?
The CAS number of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- is 81744-06-1.
What is the molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-?
The molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- is C13H8ClNOSe.
What is the molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-?
The molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- is 308.95 g/mol.
Where can I buy 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-?
You can request a quote for 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoselenazol-3(2H)-one, 6-chloro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.