Thymyl isobutyrate
TL;DR: Thymyl isobutyrate (CAS 6311-79-1) 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.
(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
Also Known As: Thymol isobutyrate, Thymyl isobutyrate, Thymylisobutyrate, Thymol, isobutyrate, starbld0036172
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6311-79-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)C(C)C |
| InChIKey | HTPVUEJWIFHSCK-UHFFFAOYSA-N |
Product Overview
Thymyl isobutyrate (CAS 6311-79-1), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate.
Chemical Property Profile of Thymyl isobutyrate
Property Insights of Thymyl isobutyrate
The XLogP value of 4.1 indicates that Thymyl 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, Thymyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thymyl 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 Thymyl isobutyrate?
The CAS number of Thymyl isobutyrate is 6311-79-1.
What is the molecular formula of Thymyl isobutyrate?
The molecular formula of Thymyl isobutyrate is C14H20O2.
What is the molecular weight of Thymyl isobutyrate?
The molecular weight of Thymyl isobutyrate is 220.15 g/mol.
Where can I buy Thymyl isobutyrate?
You can request a quote for Thymyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Thymyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.