Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate
TL;DR: Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate (CAS 478046-88-7) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-3-oxoprop-1-enyl) 4-tert-butylbenzoate
Also Known As: 2-methoxycarbonylethenyl 4-tert-butylbenzoate, METHYL 3-(4-TERT-BUTYLBENZOYLOXY)PROP-2-ENOATE, (3-methoxy-3-oxoprop-1-enyl) 4-tert-butylbenzoate, (E)-3-methoxy-3-oxo-1-propenyl 4-(tert-butyl)benzenecarboxylate
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 2.8276 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 477.86218 |
Chemical Identifiers
| CAS Number | 478046-88-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC=CC(=O)OC |
Product Overview
Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate (CAS 478046-88-7), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (3-methoxy-3-oxoprop-1-enyl) 4-tert-butylbenzoate.
Chemical Property Profile of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate
Property Insights of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate
The XLogP value of 2.8276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate 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 Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate?
The CAS number of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate is 478046-88-7.
What is the molecular formula of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate?
The molecular formula of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate is C15H18O4.
What is the molecular weight of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate?
The molecular weight of Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate is 262.12 g/mol.
Where can I buy Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate?
You can request a quote for Methyl 3-(4-tert-butylbenzoyloxy)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 Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-tert-butylbenzoyloxy)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.