Selenocyanic acid, indol-5-yl ester
TL;DR: Selenocyanic acid, indol-5-yl ester (CAS 22129-90-4) is a chemical compound with molecular formula C9H6N2Se and molecular weight 221.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-5-yl selenocyanate
Also Known As: 5-selenocyanatoindole, 1H-Indol-5-yl selenocyanate, 5-selenocyanato-1H-indole, 1H-Indol-5-yl selenocyanate #, Selenocyanic acid, indol-5-yl ester
| Molecular Formula | C9H6N2Se |
|---|---|
| Molecular Weight | 221.97 g/mol |
| LogP | 0.97848 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.96962 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 22129-90-4 |
|---|---|
| SMILES | C1=CC2=C(C=CN2)C=C1[Se]C#N |
| InChIKey | ZSJYSURCXJBOSE-UHFFFAOYSA-N |
Product Overview
Selenocyanic acid, indol-5-yl ester (CAS 22129-90-4), with molecular formula C9H6N2Se and molecular weight 221.97 g/mol. IUPAC: 1H-indol-5-yl selenocyanate.
Chemical Property Profile of Selenocyanic acid, indol-5-yl ester
Property Insights of Selenocyanic acid, indol-5-yl ester
The XLogP value of 0.97848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, indol-5-yl ester. With a topological polar surface area (TPSA) of 39.6 Ų, Selenocyanic acid, indol-5-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenocyanic acid, indol-5-yl ester has 1 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 Selenocyanic acid, indol-5-yl ester?
The CAS number of Selenocyanic acid, indol-5-yl ester is 22129-90-4.
What is the molecular formula of Selenocyanic acid, indol-5-yl ester?
The molecular formula of Selenocyanic acid, indol-5-yl ester is C9H6N2Se.
What is the molecular weight of Selenocyanic acid, indol-5-yl ester?
The molecular weight of Selenocyanic acid, indol-5-yl ester is 221.97 g/mol.
Where can I buy Selenocyanic acid, indol-5-yl ester?
You can request a quote for Selenocyanic acid, indol-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selenocyanic acid, indol-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, indol-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.