Benzenebutanol, alpha-phenyl-
TL;DR: Benzenebutanol, alpha-phenyl- (CAS 30078-89-8) is a chemical compound with molecular formula C16H18O and molecular weight 226.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diphenylbutan-1-ol
Also Known As: 1,4-diphenylbutan-1-ol, 1,4-Diphenyl-1-butanol, Benzenebutanol, alpha-phenyl-, Benzenebutanol, .alpha.-phenyl-, 1,4-Diphenyl-1-butanol #
| Molecular Formula | C16H18O |
|---|---|
| Molecular Weight | 226.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.13577 |
| Heavy Atoms | 17 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 30078-89-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(C2=CC=CC=C2)O |
| InChIKey | CAGIBUJGQRHYEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenebutanol, alpha-phenyl- (CAS 30078-89-8), with molecular formula C16H18O and molecular weight 226.14 g/mol. IUPAC: 1,4-diphenylbutan-1-ol.
Chemical Property Profile of Benzenebutanol, alpha-phenyl-
Property Insights of Benzenebutanol, alpha-phenyl-
The XLogP value of 3.7 indicates that Benzenebutanol, alpha-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenebutanol, alpha-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanol, alpha-phenyl- 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 Benzenebutanol, alpha-phenyl-?
The CAS number of Benzenebutanol, alpha-phenyl- is 30078-89-8.
What is the molecular formula of Benzenebutanol, alpha-phenyl-?
The molecular formula of Benzenebutanol, alpha-phenyl- is C16H18O.
What is the molecular weight of Benzenebutanol, alpha-phenyl-?
The molecular weight of Benzenebutanol, alpha-phenyl- is 226.14 g/mol.
Where can I buy Benzenebutanol, alpha-phenyl-?
You can request a quote for Benzenebutanol, alpha-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanol, alpha-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanol, alpha-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.