1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate
TL;DR: 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate (CAS 60546-63-6) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(3,4,5-trimethoxyphenyl)acetate
Also Known As: tert-butyl 2-(3,4,5-trimethoxyphenyl)acetate, 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate, tert-Butyl (3,4,5-trimethoxyphenyl)acetate, (3,4,5-Trimethoxyphenyl)acetic acid, tert-butyl ester, RefChem:213865
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 2.5966 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 448.6376 |
Chemical Identifiers
| CAS Number | 60546-63-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate (CAS 60546-63-6), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: tert-butyl 2-(3,4,5-trimethoxyphenyl)acetate.
Chemical Property Profile of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate
Property Insights of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate
The XLogP value of 2.5966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate. With a topological polar surface area (TPSA) of 53.99 Ų, 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate 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 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate?
The CAS number of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate is 60546-63-6.
What is the molecular formula of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate?
The molecular formula of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate is C15H22O5.
What is the molecular weight of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate?
The molecular weight of 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate is 282.15 g/mol.
Where can I buy 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate?
You can request a quote for 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.