1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-
TL;DR: 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- (CAS 74779-68-3) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,7,7-hexamethylcyclohepta-1,3,5-triene
Also Known As: 2,3,4,5,7,7-Hexamethyl-1,3,5-cycloheptatriene, 2,3,4,5,7,7-hexamethylcyclohepta-1,3,5-triene, 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-, 2,3,4,5,7,7-Hexamethyl-1,3,5-cycloheptatriene #
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 74779-68-3 |
|---|---|
| SMILES | CC1=CC(C=C(C(=C1C)C)C)(C)C |
| InChIKey | OBJMPCZLQCFZKG-UHFFFAOYSA-N |
Product Overview
1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- (CAS 74779-68-3), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 2,3,4,5,7,7-hexamethylcyclohepta-1,3,5-triene.
Chemical Property Profile of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-
Property Insights of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-
The XLogP value of 3.2 indicates that 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- 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, 2,3,4,5,7,7-hexamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- 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, 2,3,4,5,7,7-hexamethyl-?
The CAS number of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- is 74779-68-3.
What is the molecular formula of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-?
The molecular formula of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- is C13H20.
What is the molecular weight of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-?
The molecular weight of 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- is 176.16 g/mol.
Where can I buy 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl-?
You can request a quote for 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- 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, 2,3,4,5,7,7-hexamethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Cycloheptatriene, 2,3,4,5,7,7-hexamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.