Selenocyanic acid, (4-methylphenyl)methyl ester
TL;DR: Selenocyanic acid, (4-methylphenyl)methyl ester (CAS 76698-75-4) is a chemical compound with molecular formula C9H9NSe and molecular weight 210.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methyl selenocyanate
Also Known As: p-xylylselenocyanate, 4-Methylbenzylselenocyanate, 4-methylbenzyl selenocyanate, (4-methylphenyl)methyl selenocyanate, 1-methyl-4-(selenocyanatomethyl)benzene
| Molecular Formula | C9H9NSe |
|---|---|
| Molecular Weight | 210.99 g/mol |
| LogP | 1.6803 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.99002 |
| Heavy Atoms | 11 |
| Complexity | 257.88638 |
Chemical Identifiers
| CAS Number | 76698-75-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C[Se]C#N |
Product Overview
Selenocyanic acid, (4-methylphenyl)methyl ester (CAS 76698-75-4), with molecular formula C9H9NSe and molecular weight 210.99 g/mol. IUPAC: (4-methylphenyl)methyl selenocyanate.
Chemical Property Profile of Selenocyanic acid, (4-methylphenyl)methyl ester
Property Insights of Selenocyanic acid, (4-methylphenyl)methyl ester
The XLogP value of 1.6803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, (4-methylphenyl)methyl ester. With a topological polar surface area (TPSA) of 23.79 Ų, Selenocyanic acid, (4-methylphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenocyanic acid, (4-methylphenyl)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-methylphenyl)methyl ester?
The CAS number of Selenocyanic acid, (4-methylphenyl)methyl ester is 76698-75-4.
What is the molecular formula of Selenocyanic acid, (4-methylphenyl)methyl ester?
The molecular formula of Selenocyanic acid, (4-methylphenyl)methyl ester is C9H9NSe.
What is the molecular weight of Selenocyanic acid, (4-methylphenyl)methyl ester?
The molecular weight of Selenocyanic acid, (4-methylphenyl)methyl ester is 210.99 g/mol.
Where can I buy Selenocyanic acid, (4-methylphenyl)methyl ester?
You can request a quote for Selenocyanic acid, (4-methylphenyl)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-methylphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, (4-methylphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.