o-Isopropylselenotoluene
TL;DR: o-Isopropylselenotoluene (CAS 78805-16-0) is a chemical compound with molecular formula C10H14Se and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-propan-2-ylselanylbenzene
Also Known As: o-Isopropylselenotoluene, 1-methyl-2-propan-2-ylselanylbenzene, 1-Methyl-2-(isopropylseleno)benzene, 1-methyl-2-(propan-2-ylselanyl)benzene, 1-Methyl-2-[(propan-2-yl)selanyl]benzene
| Molecular Formula | C10H14Se |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 2.15282 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.02608 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 78805-16-0 |
|---|---|
| SMILES | CC1=CC=CC=C1[Se]C(C)C |
| InChIKey | SGIHZVXVUVELCT-UHFFFAOYSA-N |
Product Overview
o-Isopropylselenotoluene (CAS 78805-16-0), with molecular formula C10H14Se and molecular weight 214.03 g/mol. IUPAC: 1-methyl-2-propan-2-ylselanylbenzene.
Chemical Property Profile of o-Isopropylselenotoluene
Property Insights of o-Isopropylselenotoluene
The XLogP value of 2.15282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Isopropylselenotoluene. With a topological polar surface area (TPSA) of 0.0 Ų, o-Isopropylselenotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Isopropylselenotoluene 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 o-Isopropylselenotoluene?
The CAS number of o-Isopropylselenotoluene is 78805-16-0.
What is the molecular formula of o-Isopropylselenotoluene?
The molecular formula of o-Isopropylselenotoluene is C10H14Se.
What is the molecular weight of o-Isopropylselenotoluene?
The molecular weight of o-Isopropylselenotoluene is 214.03 g/mol.
Where can I buy o-Isopropylselenotoluene?
You can request a quote for o-Isopropylselenotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Isopropylselenotoluene?
Yes, KEHONG BIO provides custom synthesis services for o-Isopropylselenotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.