Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester
TL;DR: Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester (CAS 18713-25-2) is a chemical compound with molecular formula C7H8N2Se and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethyl-1H-pyrrol-3-yl) selenocyanate
Also Known As: (2,5-dimethyl-1H-pyrrol-3-yl) selenocyanate, 2,5-Dimethyl-3-selenocyanatopyrrole, Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester, 2,5-dimethyl-3-selenocyanato-1H-pyrrole, Selenocyanic acid, 2,5-dimethylpyrrol-3-yl ester
| Molecular Formula | C7H8N2Se |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 0.44212 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.98528 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 18713-25-2 |
|---|---|
| SMILES | CC1=CC(=C(N1)C)[Se]C#N |
| InChIKey | GERJEOUZKIKQRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester (CAS 18713-25-2), with molecular formula C7H8N2Se and molecular weight 199.99 g/mol. IUPAC: (2,5-dimethyl-1H-pyrrol-3-yl) selenocyanate.
Chemical Property Profile of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester
Property Insights of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester
The XLogP value of 0.44212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester. With a topological polar surface area (TPSA) of 39.6 Ų, Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-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, 2,5-dimethyl-1H-pyrrol-3-yl ester?
The CAS number of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester is 18713-25-2.
What is the molecular formula of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester?
The molecular formula of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester is C7H8N2Se.
What is the molecular weight of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester?
The molecular weight of Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester is 199.99 g/mol.
Where can I buy Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester?
You can request a quote for Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-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, 2,5-dimethyl-1H-pyrrol-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, 2,5-dimethyl-1H-pyrrol-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.