Carboxyebselen
TL;DR: Carboxyebselen (CAS 18877-96-8) 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.
4-(3-oxo-1,2-benzoselenazol-2-yl)benzoic acid
Also Known As: Carboxyebselen, Hooc-ebs, Carboxy-ebselen, Carboxyl-ebselen, 4-(3-oxo-1,2-benzoselenazol-2-yl)benzoic acid
| Molecular Formula | C14H9NO3Se |
|---|---|
| Molecular Weight | 318.97 g/mol |
| LogP | 1.7459 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.97476 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 18877-96-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)C(=O)O |
| InChIKey | FOEPTYDLLXMPLJ-UHFFFAOYSA-N |
Product Overview
Carboxyebselen (CAS 18877-96-8), with molecular formula C14H9NO3Se and molecular weight 318.97 g/mol. IUPAC: 4-(3-oxo-1,2-benzoselenazol-2-yl)benzoic acid.
Chemical Property Profile of Carboxyebselen
Property Insights of Carboxyebselen
The XLogP value of 1.7459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carboxyebselen. With a topological polar surface area (TPSA) of 57.6 Ų, Carboxyebselen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carboxyebselen 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 Carboxyebselen?
The CAS number of Carboxyebselen is 18877-96-8.
What is the molecular formula of Carboxyebselen?
The molecular formula of Carboxyebselen is C14H9NO3Se.
What is the molecular weight of Carboxyebselen?
The molecular weight of Carboxyebselen is 318.97 g/mol.
Where can I buy Carboxyebselen?
You can request a quote for Carboxyebselen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxyebselen?
Yes, KEHONG BIO provides custom synthesis services for Carboxyebselen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.