Butyl (3,4-dimethoxyphenyl)acetate
TL;DR: Butyl (3,4-dimethoxyphenyl)acetate (CAS 89723-27-3) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(3,4-dimethoxyphenyl)acetate
Also Known As: Butyl (3,4-dimethoxyphenyl)acetate, butyl 2-(3,4-dimethoxyphenyl)acetate
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 89723-27-3 |
|---|---|
| SMILES | CCCCOC(=O)CC1=CC(=C(C=C1)OC)OC |
| InChIKey | BJNRIXMOVKYUBY-UHFFFAOYSA-N |
Product Overview
Butyl (3,4-dimethoxyphenyl)acetate (CAS 89723-27-3), with molecular formula C14H20O4 and molecular weight 252.14 g/mol. IUPAC: butyl 2-(3,4-dimethoxyphenyl)acetate.
Chemical Property Profile of Butyl (3,4-dimethoxyphenyl)acetate
Property Insights of Butyl (3,4-dimethoxyphenyl)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (3,4-dimethoxyphenyl)acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Butyl (3,4-dimethoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (3,4-dimethoxyphenyl)acetate 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 Butyl (3,4-dimethoxyphenyl)acetate?
The CAS number of Butyl (3,4-dimethoxyphenyl)acetate is 89723-27-3.
What is the molecular formula of Butyl (3,4-dimethoxyphenyl)acetate?
The molecular formula of Butyl (3,4-dimethoxyphenyl)acetate is C14H20O4.
What is the molecular weight of Butyl (3,4-dimethoxyphenyl)acetate?
The molecular weight of Butyl (3,4-dimethoxyphenyl)acetate is 252.14 g/mol.
Where can I buy Butyl (3,4-dimethoxyphenyl)acetate?
You can request a quote for Butyl (3,4-dimethoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (3,4-dimethoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (3,4-dimethoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.