6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one
TL;DR: 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 376390-59-9) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 2,4,6-Cycloheptatrien-1-one,4- -2-hydroxy-, 6-hept-1-ynyl-2-hydroxy-cyclohepta-2,4,6-trien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 4-(1-HEPTYNYL)-2-HYDROXY-, 2,4,6-Cycloheptatrien-1-one, 4-(1-heptynyl)-2-hydroxy- (9CI)
| Molecular Formula | C14H16O2 |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | 2.6842 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.11504 |
| Heavy Atoms | 16 |
| Complexity | 452.31213 |
Chemical Identifiers
| CAS Number | 376390-59-9 |
|---|---|
| SMILES | CCCCCC#CC1=CC(=O)C(=CC=C1)O |
Product Overview
6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 376390-59-9), with molecular formula C14H16O2 and molecular weight 216.12 g/mol. IUPAC: 6-hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Property Insights of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one
The XLogP value of 2.6842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one has 1 hydrogen bond donor(s) and 2 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 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The CAS number of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one is 376390-59-9.
What is the molecular formula of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one is C14H16O2.
What is the molecular weight of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one is 216.12 g/mol.
Where can I buy 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.