7-Methylene-1,3,5-cycloheptatriene
TL;DR: 7-Methylene-1,3,5-cycloheptatriene (CAS 539-79-7) is a chemical compound with molecular formula C=C1C=CC=CC=C1 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylidenecyclohepta-1,3,5-triene
Also Known As: Heptafulvene, 7-methylene-1,3,5-cycloheptatriene, 7-methylidenecyclohepta-1,3,5-triene, 7-methylenecyclohepta-1,3,5-triene, 1-Methylene-2,4,6-cycloheptatriene
| Molecular Formula | C=C1C=CC=CC=C1 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 539-79-7 |
|---|---|
| SMILES | C=C1C=CC=CC=C1 |
| InChIKey | GGKMDDDYCSVHMU-UHFFFAOYSA-N |
Product Overview
7-Methylene-1,3,5-cycloheptatriene (CAS 539-79-7), with molecular formula C=C1C=CC=CC=C1 and molecular weight 104.06 g/mol. IUPAC: 7-methylidenecyclohepta-1,3,5-triene.
Chemical Property Profile of 7-Methylene-1,3,5-cycloheptatriene
Property Insights of 7-Methylene-1,3,5-cycloheptatriene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methylene-1,3,5-cycloheptatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Methylene-1,3,5-cycloheptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methylene-1,3,5-cycloheptatriene 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-Methylene-1,3,5-cycloheptatriene?
The CAS number of 7-Methylene-1,3,5-cycloheptatriene is 539-79-7.
What is the molecular formula of 7-Methylene-1,3,5-cycloheptatriene?
The molecular formula of 7-Methylene-1,3,5-cycloheptatriene is C=C1C=CC=CC=C1.
What is the molecular weight of 7-Methylene-1,3,5-cycloheptatriene?
The molecular weight of 7-Methylene-1,3,5-cycloheptatriene is 104.06 g/mol.
Where can I buy 7-Methylene-1,3,5-cycloheptatriene?
You can request a quote for 7-Methylene-1,3,5-cycloheptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylene-1,3,5-cycloheptatriene?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylene-1,3,5-cycloheptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.