Methyl 2-benzyl-1-oxo-2-indanecarboxylate
TL;DR: Methyl 2-benzyl-1-oxo-2-indanecarboxylate (CAS 100461-77-6) is a chemical compound with molecular formula C18H16O3 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzyl-3-oxo-1H-indene-2-carboxylate
Also Known As: Methyl 2-benzyl-1-oxo-2-indanecarboxylate, 2-Benzyl-2-carboxymethyl-indan-1-on, 2-benzyl-2-(methoxycarbonyl)-1-indanone, NCI60_024738, methyl 2-benzyl-1-oxo-indane-2-carboxylate
| Molecular Formula | C18H16O3 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10995 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 100461-77-6 |
|---|---|
| SMILES | COC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC=CC=C3 |
| InChIKey | NJVFUUYNNGIIIU-UHFFFAOYSA-N |
Product Overview
Methyl 2-benzyl-1-oxo-2-indanecarboxylate (CAS 100461-77-6), with molecular formula C18H16O3 and molecular weight 280.11 g/mol. IUPAC: methyl 2-benzyl-3-oxo-1H-indene-2-carboxylate.
Chemical Property Profile of Methyl 2-benzyl-1-oxo-2-indanecarboxylate
Property Insights of Methyl 2-benzyl-1-oxo-2-indanecarboxylate
The XLogP value of 3.6 indicates that Methyl 2-benzyl-1-oxo-2-indanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-benzyl-1-oxo-2-indanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-benzyl-1-oxo-2-indanecarboxylate 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 2-benzyl-1-oxo-2-indanecarboxylate?
The CAS number of Methyl 2-benzyl-1-oxo-2-indanecarboxylate is 100461-77-6.
What is the molecular formula of Methyl 2-benzyl-1-oxo-2-indanecarboxylate?
The molecular formula of Methyl 2-benzyl-1-oxo-2-indanecarboxylate is C18H16O3.
What is the molecular weight of Methyl 2-benzyl-1-oxo-2-indanecarboxylate?
The molecular weight of Methyl 2-benzyl-1-oxo-2-indanecarboxylate is 280.11 g/mol.
Where can I buy Methyl 2-benzyl-1-oxo-2-indanecarboxylate?
You can request a quote for Methyl 2-benzyl-1-oxo-2-indanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzyl-1-oxo-2-indanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzyl-1-oxo-2-indanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.