1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-
TL;DR: 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- (CAS 81743-97-7) is a chemical compound with molecular formula C14H9NO3Se and molecular weight 318.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1,2-benzoselenazol-3-one
Also Known As: 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-, 2-(1,3-Benxodioxol-5-yl)-1,2-benzisoselenazol-3(2H)-one, 2-(1,3-benzodioxol-5-yl)-1,2-benzoselenazol-3-one, 2-(2H-1,3-Benzodioxol-5-yl)-1,2-benzoselenazol-3(2H)-one, RefChem:215541
| Molecular Formula | C14H9NO3Se |
|---|---|
| Molecular Weight | 318.97 g/mol |
| LogP | 1.7764 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.97476 |
| Heavy Atoms | 19 |
| Complexity | 834.06854 |
Chemical Identifiers
| CAS Number | 81743-97-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=CC=CC=C4[Se]3 |
Product Overview
1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- (CAS 81743-97-7), with molecular formula C14H9NO3Se and molecular weight 318.97 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1,2-benzoselenazol-3-one.
Chemical Property Profile of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-
Property Insights of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-
The XLogP value of 1.7764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-. With a topological polar surface area (TPSA) of 40.46 Ų, 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- has 0 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 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-?
The CAS number of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- is 81743-97-7.
What is the molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-?
The molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- is C14H9NO3Se.
What is the molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-?
The molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- is 318.97 g/mol.
Where can I buy 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)-?
You can request a quote for 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- 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-(1,3-benxodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoselenazol-3(2H)-one, 2-(1,3-benxodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.