Methyl 2-selenocyanatobenzoate
TL;DR: Methyl 2-selenocyanatobenzoate (CAS 78377-05-6) is a chemical compound with molecular formula C9H7NO2Se and molecular weight 240.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-selenocyanatobenzoate
Also Known As: Methyl 2-selenocyanatobenzoate, Methyl 2-(selenocyanato)benzoate, Benzoic acid, 2-selenocyanato-, methyl ester
| Molecular Formula | C9H7NO2Se |
|---|---|
| Molecular Weight | 240.96 g/mol |
| LogP | 0.28378 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.9642 |
| Heavy Atoms | 13 |
| Complexity | 356.8775 |
Chemical Identifiers
| CAS Number | 78377-05-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1[Se]C#N |
Product Overview
Methyl 2-selenocyanatobenzoate (CAS 78377-05-6), with molecular formula C9H7NO2Se and molecular weight 240.96 g/mol. IUPAC: methyl 2-selenocyanatobenzoate.
Chemical Property Profile of Methyl 2-selenocyanatobenzoate
Property Insights of Methyl 2-selenocyanatobenzoate
The XLogP value of 0.28378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-selenocyanatobenzoate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-selenocyanatobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-selenocyanatobenzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-selenocyanatobenzoate?
The CAS number of Methyl 2-selenocyanatobenzoate is 78377-05-6.
What is the molecular formula of Methyl 2-selenocyanatobenzoate?
The molecular formula of Methyl 2-selenocyanatobenzoate is C9H7NO2Se.
What is the molecular weight of Methyl 2-selenocyanatobenzoate?
The molecular weight of Methyl 2-selenocyanatobenzoate is 240.96 g/mol.
Where can I buy Methyl 2-selenocyanatobenzoate?
You can request a quote for Methyl 2-selenocyanatobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-selenocyanatobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-selenocyanatobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.