7-Methylcycloheptatriene
TL;DR: 7-Methylcycloheptatriene (CAS 4281-04-3) is a chemical compound with molecular formula C8H10 and molecular weight 106.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylcyclohepta-1,3,5-triene
Also Known As: 7-Methylcycloheptatriene, 7-methylcyclohepta-1,3,5-triene, 7-methyl-1,3,5-cycloheptatriene, 1-Methyl-2,4,6-cycloheptatriene, 1,3,5-Cycloheptatriene, 7-methyl-
| Molecular Formula | C8H10 |
|---|---|
| Molecular Weight | 106.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.07825 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4281-04-3 |
|---|---|
| SMILES | CC1C=CC=CC=C1 |
| InChIKey | OQWAEQHNVGGBHL-UHFFFAOYSA-N |
Product Overview
7-Methylcycloheptatriene (CAS 4281-04-3), with molecular formula C8H10 and molecular weight 106.08 g/mol. IUPAC: 7-methylcyclohepta-1,3,5-triene.
Chemical Property Profile of 7-Methylcycloheptatriene
Property Insights of 7-Methylcycloheptatriene
The XLogP value of 3.0 indicates that 7-Methylcycloheptatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Methylcycloheptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methylcycloheptatriene 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 7-Methylcycloheptatriene?
The CAS number of 7-Methylcycloheptatriene is 4281-04-3.
What is the molecular formula of 7-Methylcycloheptatriene?
The molecular formula of 7-Methylcycloheptatriene is C8H10.
What is the molecular weight of 7-Methylcycloheptatriene?
The molecular weight of 7-Methylcycloheptatriene is 106.08 g/mol.
Where can I buy 7-Methylcycloheptatriene?
You can request a quote for 7-Methylcycloheptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylcycloheptatriene?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylcycloheptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.