10-Acetoxy-8,9-epoxythymol isobutyrate
TL;DR: 10-Acetoxy-8,9-epoxythymol isobutyrate (CAS 106009-86-3) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate
Also Known As: AETIB, 10-Acetoxy-8,9-epoxythymol isobutyrate, 10-acetoxy-8,9-epoxythymolisobutyrate, [2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate, 2-(3-[(Acetyloxy)methyl]-2-oxiranyl)-5-methylphenyl 2-methylpropanoate
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 106009-86-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2C(O2)COC(=O)C)OC(=O)C(C)C |
| InChIKey | CHFWFMPGEYPRST-UHFFFAOYSA-N |
Product Overview
10-Acetoxy-8,9-epoxythymol isobutyrate (CAS 106009-86-3), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: [2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate.
Chemical Property Profile of 10-Acetoxy-8,9-epoxythymol isobutyrate
Property Insights of 10-Acetoxy-8,9-epoxythymol isobutyrate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Acetoxy-8,9-epoxythymol isobutyrate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Acetoxy-8,9-epoxythymol isobutyrate. Following Lipinski's Rule of Five, 10-Acetoxy-8,9-epoxythymol isobutyrate has 0 hydrogen bond donor(s) and 5 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 10-Acetoxy-8,9-epoxythymol isobutyrate?
The CAS number of 10-Acetoxy-8,9-epoxythymol isobutyrate is 106009-86-3.
What is the molecular formula of 10-Acetoxy-8,9-epoxythymol isobutyrate?
The molecular formula of 10-Acetoxy-8,9-epoxythymol isobutyrate is C16H20O5.
What is the molecular weight of 10-Acetoxy-8,9-epoxythymol isobutyrate?
The molecular weight of 10-Acetoxy-8,9-epoxythymol isobutyrate is 292.13 g/mol.
Where can I buy 10-Acetoxy-8,9-epoxythymol isobutyrate?
You can request a quote for 10-Acetoxy-8,9-epoxythymol isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Acetoxy-8,9-epoxythymol isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 10-Acetoxy-8,9-epoxythymol isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.