Alpha-(phenylseleno)toluene
TL;DR: Alpha-(phenylseleno)toluene (CAS 18255-05-5) is a chemical compound with molecular formula C13H12Se and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylselanylbenzene
Also Known As: benzylselanylbenzene, Phenylbenzylselenium, (benzylselanyl)benzene, Benzyl phenyl selenide, Alpha-(phenylseleno)toluene
| Molecular Formula | C13H12Se |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 2.2163 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.01042 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 18255-05-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[Se]C2=CC=CC=C2 |
| InChIKey | WUDBHPOIPPXIFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-(phenylseleno)toluene (CAS 18255-05-5), with molecular formula C13H12Se and molecular weight 248.01 g/mol. IUPAC: benzylselanylbenzene.
Chemical Property Profile of Alpha-(phenylseleno)toluene
Property Insights of Alpha-(phenylseleno)toluene
The XLogP value of 2.2163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-(phenylseleno)toluene. With a topological polar surface area (TPSA) of 0.0 Ų, Alpha-(phenylseleno)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-(phenylseleno)toluene has 0 hydrogen bond donor(s) and 0 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 Alpha-(phenylseleno)toluene?
The CAS number of Alpha-(phenylseleno)toluene is 18255-05-5.
What is the molecular formula of Alpha-(phenylseleno)toluene?
The molecular formula of Alpha-(phenylseleno)toluene is C13H12Se.
What is the molecular weight of Alpha-(phenylseleno)toluene?
The molecular weight of Alpha-(phenylseleno)toluene is 248.01 g/mol.
Where can I buy Alpha-(phenylseleno)toluene?
You can request a quote for Alpha-(phenylseleno)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-(phenylseleno)toluene?
Yes, KEHONG BIO provides custom synthesis services for Alpha-(phenylseleno)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.