1,3-Indandione, 2-benzoyl-
TL;DR: 1,3-Indandione, 2-benzoyl- (CAS 1785-95-1) is a chemical compound with molecular formula C16H10O3 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylindene-1,3-dione
Also Known As: 2-Benzoyl-1,3-indanedione, Benzoylindandione, 2-Benzoyl-1H-indene-1,3(2H)-dione, 2-Benzoyl-1,3-indandione, 1,3-Indandione, 2-benzoyl-
| Molecular Formula | C16H10O3 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06299 |
| Heavy Atoms | 19 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 1785-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | UURMMRCWXJLUKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Indandione, 2-benzoyl- (CAS 1785-95-1), with molecular formula C16H10O3 and molecular weight 250.06 g/mol. IUPAC: 2-benzoylindene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-benzoyl-
Property Insights of 1,3-Indandione, 2-benzoyl-
The XLogP value of 3.0 indicates that 1,3-Indandione, 2-benzoyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3-Indandione, 2-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-benzoyl- 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 1,3-Indandione, 2-benzoyl-?
The CAS number of 1,3-Indandione, 2-benzoyl- is 1785-95-1.
What is the molecular formula of 1,3-Indandione, 2-benzoyl-?
The molecular formula of 1,3-Indandione, 2-benzoyl- is C16H10O3.
What is the molecular weight of 1,3-Indandione, 2-benzoyl-?
The molecular weight of 1,3-Indandione, 2-benzoyl- is 250.06 g/mol.
Where can I buy 1,3-Indandione, 2-benzoyl-?
You can request a quote for 1,3-Indandione, 2-benzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-benzoyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.