Selenoaspirine
TL;DR: Selenoaspirine (CAS 66472-85-3) is a chemical compound with molecular formula C9H8O3Se and molecular weight 243.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylselanylbenzoic acid
Also Known As: Selenoaspirine, 2-(Acetylseleno)benzoic acid, Acetylseleno-2 benzoic acid, 2-acetylselanylbenzoic acid, 2- BENZOICACID
| Molecular Formula | C9H8O3Se |
|---|---|
| Molecular Weight | 243.96 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.96387 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 66472-85-3 |
|---|---|
| SMILES | CC(=O)[Se]C1=CC=CC=C1C(=O)O |
| InChIKey | DPMXBHNNOATSAP-UHFFFAOYSA-N |
Product Overview
Selenoaspirine (CAS 66472-85-3), with molecular formula C9H8O3Se and molecular weight 243.96 g/mol. IUPAC: 2-acetylselanylbenzoic acid.
Chemical Property Profile of Selenoaspirine
Property Insights of Selenoaspirine
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenoaspirine. With a topological polar surface area (TPSA) of 54.4 Ų, Selenoaspirine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenoaspirine has 1 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 Selenoaspirine?
The CAS number of Selenoaspirine is 66472-85-3.
What is the molecular formula of Selenoaspirine?
The molecular formula of Selenoaspirine is C9H8O3Se.
What is the molecular weight of Selenoaspirine?
The molecular weight of Selenoaspirine is 243.96 g/mol.
Where can I buy Selenoaspirine?
You can request a quote for Selenoaspirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selenoaspirine?
Yes, KEHONG BIO provides custom synthesis services for Selenoaspirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.