1-(2,3-Dimethoxyphenyl)but-3-enyl acetate
TL;DR: 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate (CAS 6912-85-2) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethoxyphenyl)but-3-enyl acetate
Also Known As: 1-Bromo-2-methoxyethane, 1-(2,3-dimethoxyphenyl)but-3-enyl acetate, 1-(2,3-dimethoxyphenyl)but-3-en-1-yl acetate, KST-1B7558, Benzenemethanol,2,3-dimethoxy-a-2-propen-1-yl-, 1-acetate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 6912-85-2 |
|---|---|
| SMILES | CC(=O)OC(CC=C)C1=C(C(=CC=C1)OC)OC |
| InChIKey | GLCBOHUTRMDZSE-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dimethoxyphenyl)but-3-enyl acetate (CAS 6912-85-2), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 1-(2,3-dimethoxyphenyl)but-3-enyl acetate.
Chemical Property Profile of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate
Property Insights of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dimethoxyphenyl)but-3-enyl 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 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate?
The CAS number of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate is 6912-85-2.
What is the molecular formula of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate?
The molecular formula of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate is C14H18O4.
What is the molecular weight of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate?
The molecular weight of 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate is 250.12 g/mol.
Where can I buy 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate?
You can request a quote for 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethoxyphenyl)but-3-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.