2,1,3-Benzoselenadiazole, 5-ethoxy-
TL;DR: 2,1,3-Benzoselenadiazole, 5-ethoxy- (CAS 1131-83-5) is a chemical compound with molecular formula C8H8N2OSe and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-2,1,3-benzoselenadiazole
Also Known As: 5-Ethoxypiazselenole, 2,1,3-Benzoselenadiazole, 5-ethoxy-, 5-Ethoxy-2,1,3-benzoselenadiazole, 2,1,3-Benzoselenadiazole,5-ethoxy-, 5-ethoxy-benzo[1,2,5]selenadiazole
| Molecular Formula | C8H8N2OSe |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 1.0855 |
| Topological Polar Surface Area | 35.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.98018 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 1131-83-5 |
|---|---|
| SMILES | CCOC1=CC2=N[Se]N=C2C=C1 |
| InChIKey | MFXYSGSJYVCDCX-UHFFFAOYSA-N |
Product Overview
2,1,3-Benzoselenadiazole, 5-ethoxy- (CAS 1131-83-5), with molecular formula C8H8N2OSe and molecular weight 227.98 g/mol. IUPAC: 5-ethoxy-2,1,3-benzoselenadiazole.
Chemical Property Profile of 2,1,3-Benzoselenadiazole, 5-ethoxy-
Property Insights of 2,1,3-Benzoselenadiazole, 5-ethoxy-
The XLogP value of 1.0855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoselenadiazole, 5-ethoxy-. With a topological polar surface area (TPSA) of 35.0 Ų, 2,1,3-Benzoselenadiazole, 5-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzoselenadiazole, 5-ethoxy- 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 2,1,3-Benzoselenadiazole, 5-ethoxy-?
The CAS number of 2,1,3-Benzoselenadiazole, 5-ethoxy- is 1131-83-5.
What is the molecular formula of 2,1,3-Benzoselenadiazole, 5-ethoxy-?
The molecular formula of 2,1,3-Benzoselenadiazole, 5-ethoxy- is C8H8N2OSe.
What is the molecular weight of 2,1,3-Benzoselenadiazole, 5-ethoxy-?
The molecular weight of 2,1,3-Benzoselenadiazole, 5-ethoxy- is 227.98 g/mol.
Where can I buy 2,1,3-Benzoselenadiazole, 5-ethoxy-?
You can request a quote for 2,1,3-Benzoselenadiazole, 5-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzoselenadiazole, 5-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoselenadiazole, 5-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.