1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
TL;DR: 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- (CAS 71133-64-7) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(methoxymethylidene)cyclohepta-1,3,5-triene
Also Known As: 8-Methoxyheptafulven, 8-Methoxyheptafulvene, 8-Methoxyheptafulvalen, 1,3,5-cycloheptatriene, 7-(methoxymethylene)-, 7-(methoxymethylene)cyclohepta-1,3,5-triene
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 71133-64-7 |
|---|---|
| SMILES | COC=C1C=CC=CC=C1 |
| InChIKey | WYUXWMKOLGWMKU-UHFFFAOYSA-N |
Product Overview
1,3,5-Cycloheptatriene, 7-(methoxymethylene)- (CAS 71133-64-7), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 7-(methoxymethylidene)cyclohepta-1,3,5-triene.
Chemical Property Profile of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
Property Insights of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Cycloheptatriene, 7-(methoxymethylene)-. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- has 0 hydrogen bond donor(s) and 1 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-(methoxymethylene)-?
The CAS number of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- is 71133-64-7.
What is the molecular formula of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)-?
The molecular formula of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- is C9H10O.
What is the molecular weight of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)-?
The molecular weight of 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- is 134.07 g/mol.
Where can I buy 1,3,5-Cycloheptatriene, 7-(methoxymethylene)-?
You can request a quote for 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- 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-(methoxymethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Cycloheptatriene, 7-(methoxymethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.