sec-Amyltricresol
TL;DR: sec-Amyltricresol (CAS 8063-33-0) 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.
3-methyl-5-pentan-2-ylphenol
Also Known As: Amyltricresols, sec-Amyltricresol, AMYLTRICRESOLS, SECONDARY, Phenol, methyl(1-methylbutyl)-, 3-methyl-5-pentan-2-ylphenol
| 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 | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 8063-33-0 |
|---|---|
| SMILES | CCCC(C)C1=CC(=CC(=C1)C)O |
| InChIKey | AVGDKTGOMWQRNA-UHFFFAOYSA-N |
Product Overview
sec-Amyltricresol (CAS 8063-33-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-methyl-5-pentan-2-ylphenol.
Chemical Property Profile of sec-Amyltricresol
Property Insights of sec-Amyltricresol
The XLogP value of 4.1 indicates that sec-Amyltricresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, sec-Amyltricresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Amyltricresol 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 sec-Amyltricresol?
The CAS number of sec-Amyltricresol is 8063-33-0.
What is the molecular formula of sec-Amyltricresol?
The molecular formula of sec-Amyltricresol is C12H18O.
What is the molecular weight of sec-Amyltricresol?
The molecular weight of sec-Amyltricresol is 178.14 g/mol.
Where can I buy sec-Amyltricresol?
You can request a quote for sec-Amyltricresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Amyltricresol?
Yes, KEHONG BIO provides custom synthesis services for sec-Amyltricresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.