1,3,5-Cycloheptatriene, 7-(1-methylethyl)-
TL;DR: 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- (CAS 17678-85-2) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-propan-2-ylcyclohepta-1,3,5-triene
Also Known As: 7-Isopropyl-1,3,5-cycloheptatriene, 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-, 7-(propan-2-yl)cyclohepta-1,3,5-triene, 7-propan-2-ylcyclohepta-1,3,5-triene, 1,3,5-Cycloheptatriene, 7(1-methylethyl)-
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 2.9408 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 154.47733 |
Chemical Identifiers
| CAS Number | 17678-85-2 |
|---|---|
| SMILES | CC(C)C1C=CC=CC=C1 |
Product Overview
1,3,5-Cycloheptatriene, 7-(1-methylethyl)- (CAS 17678-85-2), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: 7-propan-2-ylcyclohepta-1,3,5-triene.
Chemical Property Profile of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-
Property Insights of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-
The XLogP value of 2.9408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- 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-methylethyl)-?
The CAS number of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- is 17678-85-2.
What is the molecular formula of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-?
The molecular formula of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- is C10H14.
What is the molecular weight of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-?
The molecular weight of 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- is 134.11 g/mol.
Where can I buy 1,3,5-Cycloheptatriene, 7-(1-methylethyl)-?
You can request a quote for 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- 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-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Cycloheptatriene, 7-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.