methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate
TL;DR: methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate (CAS 786647-54-9) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(1-oxo-2,3-dihydroinden-5-yl)prop-2-enoate
Also Known As: methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate, methyl (E)-3-(1-oxo-2,3-dihydroinden-5-yl)prop-2-enoate, methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)prop-2-enoate, Methyl (2E)-3-(I-oxo-2,3-dihydro-1H-inden-5-yl)prop-2-enoate
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.0017 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 472.0661 |
Chemical Identifiers
| CAS Number | 786647-54-9 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC2=C(C=C1)C(=O)CC2 |
Product Overview
methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate (CAS 786647-54-9), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: methyl (E)-3-(1-oxo-2,3-dihydroinden-5-yl)prop-2-enoate.
Chemical Property Profile of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate
Property Insights of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate
The XLogP value of 2.0017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate. With a topological polar surface area (TPSA) of 43.37 Ų, methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate 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 methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate?
The CAS number of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate is 786647-54-9.
What is the molecular formula of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate?
The molecular formula of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate is C13H12O3.
What is the molecular weight of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate?
The molecular weight of methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate is 216.08 g/mol.
Where can I buy methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate?
You can request a quote for methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-3-(1-oxo-2,3-dihydro-1H-inden-5-yl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.