Isothymol isobutyrate
TL;DR: Isothymol isobutyrate (CAS 65751-97-5) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
Also Known As: Isothymol isobutyrate, (4-methyl-2-propan-2-ylphenyl) 2-methylpropanoate, 4-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate, J2.379.961H, isobutyric acid 2-isopropyl-4-methylphenylester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.67982 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 378.32178 |
Chemical Identifiers
| CAS Number | 65751-97-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C(C)C)C(C)C |
Product Overview
Isothymol isobutyrate (CAS 65751-97-5), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (4-methyl-2-propan-2-ylphenyl) 2-methylpropanoate.
Chemical Property Profile of Isothymol isobutyrate
Property Insights of Isothymol isobutyrate
The XLogP value of 3.67982 indicates that Isothymol isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isothymol isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothymol isobutyrate has 0 hydrogen bond donor(s) and 2 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 Isothymol isobutyrate?
The CAS number of Isothymol isobutyrate is 65751-97-5.
What is the molecular formula of Isothymol isobutyrate?
The molecular formula of Isothymol isobutyrate is C14H20O2.
What is the molecular weight of Isothymol isobutyrate?
The molecular weight of Isothymol isobutyrate is 220.15 g/mol.
Where can I buy Isothymol isobutyrate?
You can request a quote for Isothymol isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothymol isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Isothymol isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.