t-Butyl 4-vinylbenzoate
TL;DR: t-Butyl 4-vinylbenzoate (CAS 87261-04-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-ethenylbenzoate
Also Known As: t-butyl 4-vinylbenzoate, Tert-butyl 4-ethenylbenzoate, 4-BOC-styrene., 4-BOC-styrene, tert-butyl 4-vinylbenzoate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.2849 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 355.1175 |
Chemical Identifiers
| CAS Number | 87261-04-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)C=C |
Product Overview
t-Butyl 4-vinylbenzoate (CAS 87261-04-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: tert-butyl 4-ethenylbenzoate.
Chemical Property Profile of t-Butyl 4-vinylbenzoate
Property Insights of t-Butyl 4-vinylbenzoate
The XLogP value of 3.2849 indicates that t-Butyl 4-vinylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, t-Butyl 4-vinylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, t-Butyl 4-vinylbenzoate has 0 hydrogen bond donor(s) and 2 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 t-Butyl 4-vinylbenzoate?
The CAS number of t-Butyl 4-vinylbenzoate is 87261-04-9.
What is the molecular formula of t-Butyl 4-vinylbenzoate?
The molecular formula of t-Butyl 4-vinylbenzoate is C13H16O2.
What is the molecular weight of t-Butyl 4-vinylbenzoate?
The molecular weight of t-Butyl 4-vinylbenzoate is 204.12 g/mol.
Where can I buy t-Butyl 4-vinylbenzoate?
You can request a quote for t-Butyl 4-vinylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyl 4-vinylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for t-Butyl 4-vinylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.