1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-
TL;DR: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- (CAS 81744-14-1) is a chemical compound with molecular formula C17H17NOSe and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylbutyl)-1,2-benzoselenazol-3-one
Also Known As: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-, 2-(4-Phenylbutyl)-1,2-benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-1,2-benzoselenazol-3-one, 2-(4-Phenylbutyl)-1,2-benzoselenazol-3(2H)-one, RefChem:215553
| Molecular Formula | C17H17NOSe |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 3.0814 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.04755 |
| Heavy Atoms | 20 |
| Complexity | 742.27594 |
Chemical Identifiers
| CAS Number | 81744-14-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCN2C(=O)C3=CC=CC=C3[Se]2 |
Product Overview
1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- (CAS 81744-14-1), with molecular formula C17H17NOSe and molecular weight 331.05 g/mol. IUPAC: 2-(4-phenylbutyl)-1,2-benzoselenazol-3-one.
Chemical Property Profile of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-
Property Insights of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-
The XLogP value of 3.0814 indicates that 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- 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, 2-(4-phenylbutyl)-?
The CAS number of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- is 81744-14-1.
What is the molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-?
The molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- is C17H17NOSe.
What is the molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-?
The molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- is 331.05 g/mol.
Where can I buy 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)-?
You can request a quote for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- 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, 2-(4-phenylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-phenylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.