(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate
TL;DR: (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate (CAS 7461-97-4) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate
Also Known As: (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phen, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate, 2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (2E)-3-phenylprop-2-enoate, 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 3-phenylprop-2-enoate
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 3.477 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 608.6104 |
Chemical Identifiers
| CAS Number | 7461-97-4 |
|---|---|
| SMILES | CC1=C(C(=O)CC1OC(=O)/C=C/C2=CC=CC=C2)CC=C |
Product Overview
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate (CAS 7461-97-4), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate.
Chemical Property Profile of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate
Property Insights of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate
The XLogP value of 3.477 indicates that (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 3 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 (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate?
The CAS number of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate is 7461-97-4.
What is the molecular formula of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate?
The molecular formula of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate is C18H18O3.
What is the molecular weight of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate?
The molecular weight of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate is 282.13 g/mol.
Where can I buy (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate?
You can request a quote for (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.