![1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol structure](/static/products/7504/7504-14-5.webp)
1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
TL;DR: 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol (CAS 7504-14-5) is a chemical compound with molecular formula C18H16Cl6O2 and molecular weight 473.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
Also Known As: 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol, 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-di, 1,1'-(Ethyne-1,2-diyl)bis[4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol]
| Molecular Formula | C18H16Cl6O2 |
|---|---|
| Molecular Weight | 473.93 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 473.92813 |
| Heavy Atoms | 26 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 7504-14-5 |
|---|---|
| SMILES | CC1(C=CC(C=C1)(C#CC2(C=CC(C=C2)(C)C(Cl)(Cl)Cl)O)O)C(Cl)(Cl)Cl |
| InChIKey | SAGVHYWYZQTCCP-UHFFFAOYSA-N |
Product Overview
1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol (CAS 7504-14-5), with molecular formula C18H16Cl6O2 and molecular weight 473.93 g/mol. IUPAC: 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol.
Chemical Property Profile of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
Property Insights of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
The XLogP value of 6.3 indicates that 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol?
The CAS number of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol is 7504-14-5.
What is the molecular formula of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol?
The molecular formula of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol is C18H16Cl6O2.
What is the molecular weight of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol?
The molecular weight of 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol is 473.93 g/mol.
Where can I buy 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol?
You can request a quote for 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[1-hydroxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-yl]ethynyl]-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.