1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-
TL;DR: 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- (CAS 17635-75-5) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butylcyclohepta-1,3,5-triene
Also Known As: 1-t-butylcyclohepta-2,4,6-triene, 7-tert-butylcyclohepta-1,3,5-triene, 7-tert-Butyl-1,3,5-cycloheptatrien, 1-tert-Butyl-2,4,6-cycloheptatriene, 7-tert-Butyl-1,3,5-cycloheptatriene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 17635-75-5 |
|---|---|
| SMILES | CC(C)(C)C1C=CC=CC=C1 |
| InChIKey | QEGYVNCZOFKWNM-UHFFFAOYSA-N |
Product Overview
1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- (CAS 17635-75-5), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 7-tert-butylcyclohepta-1,3,5-triene.
Chemical Property Profile of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-
Property Insights of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-
The XLogP value of 4.2 indicates that 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 0 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 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-?
The CAS number of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- is 17635-75-5.
What is the molecular formula of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-?
The molecular formula of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- is C11H16.
What is the molecular weight of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-?
The molecular weight of 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- is 148.13 g/mol.
Where can I buy 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-?
You can request a quote for 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Cycloheptatriene, 7-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.