p-Methylphenylbutylene oxide
TL;DR: p-Methylphenylbutylene oxide (CAS 111990-49-9) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)ethyl]oxirane
Also Known As: p-Methylphenylbutylene oxide, (2-(4-Methylphenyl)ethyl)oxirane, 2-[2-(4-methylphenyl)ethyl]oxirane, Oxirane, 2-(2-(4-methylphenyl)ethyl)-, 2-(2-(4-Methylphenyl)ethyl)oxirane
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 111990-49-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCC2CO2 |
| InChIKey | CLHBSQBGFQJMKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Methylphenylbutylene oxide (CAS 111990-49-9), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2-[2-(4-methylphenyl)ethyl]oxirane.
Chemical Property Profile of p-Methylphenylbutylene oxide
Property Insights of p-Methylphenylbutylene oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Methylphenylbutylene oxide. With a topological polar surface area (TPSA) of 12.5 Ų, p-Methylphenylbutylene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Methylphenylbutylene oxide 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 p-Methylphenylbutylene oxide?
The CAS number of p-Methylphenylbutylene oxide is 111990-49-9.
What is the molecular formula of p-Methylphenylbutylene oxide?
The molecular formula of p-Methylphenylbutylene oxide is C11H14O.
What is the molecular weight of p-Methylphenylbutylene oxide?
The molecular weight of p-Methylphenylbutylene oxide is 162.10 g/mol.
Where can I buy p-Methylphenylbutylene oxide?
You can request a quote for p-Methylphenylbutylene oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Methylphenylbutylene oxide?
Yes, KEHONG BIO provides custom synthesis services for p-Methylphenylbutylene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.