1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
TL;DR: 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one (CAS 68298-34-0) is a chemical compound with molecular formula C18H24O and molecular weight 256.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Also Known As: 2-Buten-1-one, 1-(2,3-dihydro-1,1,3,3,6-pentamethyl-1H-inden-5-yl)-
| Molecular Formula | C18H24O |
|---|---|
| Molecular Weight | 256.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.1827 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 68298-34-0 |
|---|---|
| SMILES | CC=CC(=O)C1=CC2=C(C=C1C)C(CC2(C)C)(C)C |
| InChIKey | VHGRISIIWCHDBX-UHFFFAOYSA-N |
Product Overview
1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one (CAS 68298-34-0), with molecular formula C18H24O and molecular weight 256.18 g/mol. IUPAC: 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one.
Chemical Property Profile of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Property Insights of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
The XLogP value of 5.4 indicates that 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-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, 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one?
The CAS number of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one is 68298-34-0.
What is the molecular formula of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one?
The molecular formula of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one is C18H24O.
What is the molecular weight of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one?
The molecular weight of 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one is 256.18 g/mol.
Where can I buy 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one?
You can request a quote for 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.