2-Benzylidene-3,3-dimethylinden-1-one
TL;DR: 2-Benzylidene-3,3-dimethylinden-1-one (CAS 55953-72-5) is a chemical compound with molecular formula C18H16O and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-3,3-dimethylinden-1-one
Also Known As: 2-benzylidene-3,3-dimethylinden-1-one, 2-benzal-3,3-dimethyl-indan-1-one, 3,3-dimethyl-2-(phenylmethylene)-1-indenone, 3,3-dimethyl-2-(phenylmethylidene)inden-1-one, 2-benzylidene-3,3-dimethyl-2,3-dihydro-1h-inden-1-one
| Molecular Formula | C18H16O |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.12012 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 55953-72-5 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3)C |
| InChIKey | KGQHTMOZOPSKTH-UHFFFAOYSA-N |
Product Overview
2-Benzylidene-3,3-dimethylinden-1-one (CAS 55953-72-5), with molecular formula C18H16O and molecular weight 248.12 g/mol. IUPAC: 2-benzylidene-3,3-dimethylinden-1-one.
Chemical Property Profile of 2-Benzylidene-3,3-dimethylinden-1-one
Property Insights of 2-Benzylidene-3,3-dimethylinden-1-one
The XLogP value of 4.7 indicates that 2-Benzylidene-3,3-dimethylinden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Benzylidene-3,3-dimethylinden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-3,3-dimethylinden-1-one has 0 hydrogen bond donor(s) and 1 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-Benzylidene-3,3-dimethylinden-1-one?
The CAS number of 2-Benzylidene-3,3-dimethylinden-1-one is 55953-72-5.
What is the molecular formula of 2-Benzylidene-3,3-dimethylinden-1-one?
The molecular formula of 2-Benzylidene-3,3-dimethylinden-1-one is C18H16O.
What is the molecular weight of 2-Benzylidene-3,3-dimethylinden-1-one?
The molecular weight of 2-Benzylidene-3,3-dimethylinden-1-one is 248.12 g/mol.
Where can I buy 2-Benzylidene-3,3-dimethylinden-1-one?
You can request a quote for 2-Benzylidene-3,3-dimethylinden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-3,3-dimethylinden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-3,3-dimethylinden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.