Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester
TL;DR: Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester (CAS 80640-80-8) is a chemical compound with molecular formula C14H22O4Si and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilylmethyl 2-(3,4-dimethoxyphenyl)acetate
Also Known As: Pyraminal, Trimethylsilylmethyl 2-(3,4-dimethoxyphenyl)acetate, (Trimethylsilyl)methyl (3,4-dimethoxyphenyl)acetate, (Trimethylsilyl)methyl 2-(3,4-dimethoxyphenyl)acetate, Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester
| Molecular Formula | C14H22O4Si |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 2.6669 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.12872 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 80640-80-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)OC[Si](C)(C)C)OC |
| InChIKey | HIKNYWKTKLLRFH-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester (CAS 80640-80-8), with molecular formula C14H22O4Si and molecular weight 282.13 g/mol. IUPAC: trimethylsilylmethyl 2-(3,4-dimethoxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester
Property Insights of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester
The XLogP value of 2.6669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester has 0 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester?
The CAS number of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester is 80640-80-8.
What is the molecular formula of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester?
The molecular formula of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester is C14H22O4Si.
What is the molecular weight of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester?
The molecular weight of Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester is 282.13 g/mol.
Where can I buy Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester?
You can request a quote for Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3,4-dimethoxy-, (trimethylsilyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.