Selenocyanic acid, 4-amino-m-tolyl ester
TL;DR: Selenocyanic acid, 4-amino-m-tolyl ester (CAS 22037-13-4) is a chemical compound with molecular formula C8H8N2Se and molecular weight 211.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-methylphenyl) selenocyanate
Also Known As: 4-Amino-m-tolyl selenocyanate, 2-methyl-4-selenocyanatoaniline, 4-Amino-3-methylphenyl selenocyanate, 3-Methyl-4-aminophenylseleniumcyanide, 3-Methyl-4-aminophenylselenium cyanide
| Molecular Formula | C8H8N2Se |
|---|---|
| Molecular Weight | 211.99 g/mol |
| LogP | 0.3878 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.98528 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 22037-13-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[Se]C#N)N |
| InChIKey | NQFMJOMZATWVDA-UHFFFAOYSA-N |
Product Overview
Selenocyanic acid, 4-amino-m-tolyl ester (CAS 22037-13-4), with molecular formula C8H8N2Se and molecular weight 211.99 g/mol. IUPAC: (4-amino-3-methylphenyl) selenocyanate.
Chemical Property Profile of Selenocyanic acid, 4-amino-m-tolyl ester
Property Insights of Selenocyanic acid, 4-amino-m-tolyl ester
The XLogP value of 0.3878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selenocyanic acid, 4-amino-m-tolyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Selenocyanic acid, 4-amino-m-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selenocyanic acid, 4-amino-m-tolyl ester has 1 hydrogen bond donor(s) and 2 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-amino-m-tolyl ester?
The CAS number of Selenocyanic acid, 4-amino-m-tolyl ester is 22037-13-4.
What is the molecular formula of Selenocyanic acid, 4-amino-m-tolyl ester?
The molecular formula of Selenocyanic acid, 4-amino-m-tolyl ester is C8H8N2Se.
What is the molecular weight of Selenocyanic acid, 4-amino-m-tolyl ester?
The molecular weight of Selenocyanic acid, 4-amino-m-tolyl ester is 211.99 g/mol.
Where can I buy Selenocyanic acid, 4-amino-m-tolyl ester?
You can request a quote for Selenocyanic acid, 4-amino-m-tolyl 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-amino-m-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Selenocyanic acid, 4-amino-m-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.