1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
TL;DR: 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- (CAS 890-44-8) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylindene-1,3-dione
Also Known As: 2-benzyl-1,3-indandione, 2-Benzylindan-1,3-dione, 2-benzyl-1,3-indanedione, 2-benzylindene-1,3-dione, 1,3-Indandione, 2-benzyl-
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 890-44-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | KVHFJEUMWZBAMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- (CAS 890-44-8), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: 2-benzylindene-1,3-dione.
Chemical Property Profile of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
Property Insights of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-
The XLogP value of 3.2 indicates that 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- 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 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-?
The CAS number of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- is 890-44-8.
What is the molecular formula of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-?
The molecular formula of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- is C16H12O2.
What is the molecular weight of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-?
The molecular weight of 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- is 236.08 g/mol.
Where can I buy 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-?
You can request a quote for 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-1,3(2H)-dione, 2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.