月桂檫碱
TL;DR: 月桂檫碱 (CAS 81-38-9) 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.
月桂檫碱
4-(2,3-dimethylbutan-2-yl)phenol
Also Known As: 4-(2,3-dimethylbutan-2-yl)phenol, phenol, 4-(1,1,2-trimethylpropyl)-, Phenol,4-(1,1,2-trimethylpropyl)-, 4-Hydroxy-1-(1.1.2-trimethyl-propyl)-benzol
| 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 | 153.0 |
Chemical Identifiers
| CAS Number | 81-38-9 |
|---|---|
| SMILES | CC(C)C(C)(C)C1=CC=C(C=C1)O |
| InChIKey | FPMWFZBBAILIGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
月桂檫碱 (CAS 81-38-9), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-(2,3-dimethylbutan-2-yl)phenol.
Chemical Property Profile of 月桂檫碱
Property Insights of 月桂檫碱
The XLogP value of 4.1 indicates that 月桂檫碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 月桂檫碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 月桂檫碱 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 月桂檫碱?
The CAS number of 月桂檫碱 is 81-38-9.
What is the molecular formula of 月桂檫碱?
The molecular formula of 月桂檫碱 is C12H18O.
What is the molecular weight of 月桂檫碱?
The molecular weight of 月桂檫碱 is 178.14 g/mol.
Where can I buy 月桂檫碱?
You can request a quote for 月桂檫碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 月桂檫碱?
Yes, KEHONG BIO provides custom synthesis services for 月桂檫碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.