2,5-Diisopropylphenol
TL;DR: 2,5-Diisopropylphenol (CAS 35946-91-9) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-di(propan-2-yl)phenol
Also Known As: 2,5-Diisopropylphenol, 2,5-bis(propan-2-yl)phenol, Propofol EP impurity D, 2,5-di(propan-2-yl)phenol, Propofol Impurity D
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
| Melting Point | 95.5 °C |
Chemical Identifiers
| CAS Number | 35946-91-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)C(C)C)O |
| InChIKey | VFNUNYPYULIJSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Diisopropylphenol (CAS 35946-91-9), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2,5-di(propan-2-yl)phenol.
Chemical Property Profile of 2,5-Diisopropylphenol
Property Insights of 2,5-Diisopropylphenol
The XLogP value of 4.1 indicates that 2,5-Diisopropylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,5-Diisopropylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diisopropylphenol has 1 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 2,5-Diisopropylphenol?
The CAS number of 2,5-Diisopropylphenol is 35946-91-9.
What is the molecular formula of 2,5-Diisopropylphenol?
The molecular formula of 2,5-Diisopropylphenol is C12H18O.
What is the molecular weight of 2,5-Diisopropylphenol?
The molecular weight of 2,5-Diisopropylphenol is 178.14 g/mol.
Where can I buy 2,5-Diisopropylphenol?
You can request a quote for 2,5-Diisopropylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diisopropylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diisopropylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.