![Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester structure](/static/products/830/830356-08-6.png)
Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester
TL;DR: Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester (CAS 830356-08-6) is a chemical compound with molecular formula C12H15NSe and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)methyl selenocyanate
Also Known As: (4-tert-butylphenyl)methyl selenocyanate, 1-(selenocyanatomethyl)-4-tert-butyl-benzene, Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester
| Molecular Formula | C12H15NSe |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 2.66938 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.03697 |
| Heavy Atoms | 14 |
| Complexity | 326.82474 |
Chemical Identifiers
| CAS Number | 830356-08-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[Se]C#N |
Product Overview
Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester (CAS 830356-08-6), with molecular formula C12H15NSe and molecular weight 253.04 g/mol. IUPAC: (4-tert-butylphenyl)methyl selenocyanate.
Chemical Property Profile of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester
Property Insights of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester
The XLogP value of 2.66938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester. With a topological polar surface area (TPSA) of 23.79 Ų, Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester has 0 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, [4-(1,1-dimethylethyl)phenyl]methyl ester?
The CAS number of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester is 830356-08-6.
What is the molecular formula of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester?
The molecular formula of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester is C12H15NSe.
What is the molecular weight of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester?
The molecular weight of Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester is 253.04 g/mol.
Where can I buy Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester?
You can request a quote for Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl 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, [4-(1,1-dimethylethyl)phenyl]methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, [4-(1,1-dimethylethyl)phenyl]methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.