(4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
TL;DR: (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 866136-72-3) is a chemical compound with molecular formula C20H19BrO4 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: (4-butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate, (4-butan-2-ylphenyl) 3-(6-bromobenzo[1,3]dioxol-5-yl)prop-2-enoate, 4-(sec-butyl)phenyl (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
| Molecular Formula | C20H19BrO4 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 5.3101 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.04666 |
| Heavy Atoms | 25 |
| Complexity | 796.0886 |
Chemical Identifiers
| CAS Number | 866136-72-3 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OC(=O)C=CC2=CC3=C(C=C2Br)OCO3 |
Product Overview
(4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 866136-72-3), with molecular formula C20H19BrO4 and molecular weight 402.05 g/mol. IUPAC: (4-butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Property Insights of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
The XLogP value of 5.3101 indicates that (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
The CAS number of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is 866136-72-3.
What is the molecular formula of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular formula of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is C20H19BrO4.
What is the molecular weight of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular weight of (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is 402.05 g/mol.
Where can I buy (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
You can request a quote for (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Butan-2-ylphenyl) 3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.