Benzenepropanol, alpha-(1-methylethyl)-
TL;DR: Benzenepropanol, alpha-(1-methylethyl)- (CAS 68426-07-3) 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.
4-methyl-1-phenylpentan-3-ol
Also Known As: 4-Methyl-1-phenylpentan-3-ol, 4-Methyl-1-phenyl-3-pentanol, 1-Phenyl-4-methyl-3-pentanol, 2-methyl-5-phenyl-3-pentanol, 1-Isopropyl-3-phenyl-1-propanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 68426-07-3 |
|---|---|
| SMILES | CC(C)C(CCC1=CC=CC=C1)O |
| InChIKey | XMYCBALIUJOUKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanol, alpha-(1-methylethyl)- (CAS 68426-07-3), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-methyl-1-phenylpentan-3-ol.
Chemical Property Profile of Benzenepropanol, alpha-(1-methylethyl)-
Property Insights of Benzenepropanol, alpha-(1-methylethyl)-
The XLogP value of 3.3 indicates that Benzenepropanol, alpha-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenepropanol, alpha-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanol, alpha-(1-methylethyl)- 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 Benzenepropanol, alpha-(1-methylethyl)-?
The CAS number of Benzenepropanol, alpha-(1-methylethyl)- is 68426-07-3.
What is the molecular formula of Benzenepropanol, alpha-(1-methylethyl)-?
The molecular formula of Benzenepropanol, alpha-(1-methylethyl)- is C12H18O.
What is the molecular weight of Benzenepropanol, alpha-(1-methylethyl)-?
The molecular weight of Benzenepropanol, alpha-(1-methylethyl)- is 178.14 g/mol.
Where can I buy Benzenepropanol, alpha-(1-methylethyl)-?
You can request a quote for Benzenepropanol, alpha-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.