Thymol, 6,6'-(2,2,2-trichloroethylidene)di-
TL;DR: Thymol, 6,6'-(2,2,2-trichloroethylidene)di- (CAS 13479-26-0) is a chemical compound with molecular formula C22H27Cl3O2 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-propan-2-yl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)ethyl]phenol
Also Known As: Dithymyltrichloroethane, 6,6'-(2,2,2-Trichloroethylidene)dithymol, Thymol, 6,6'-(2,2,2-trichloroethylidene)di-, 3-06-00-05558 (Beilstein Handbook Reference), EC.EC.EC-Trichlor-I<<.I<<-di-thymolyl-aethan
| Molecular Formula | C22H27Cl3O2 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.10767 |
| Heavy Atoms | 27 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 13479-26-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C2=CC(=C(C=C2C)O)C(C)C)C(Cl)(Cl)Cl)C(C)C)O |
| InChIKey | QGVSAJOOKCTTII-UHFFFAOYSA-N |
Product Overview
Thymol, 6,6'-(2,2,2-trichloroethylidene)di- (CAS 13479-26-0), with molecular formula C22H27Cl3O2 and molecular weight 428.11 g/mol. IUPAC: 5-methyl-2-propan-2-yl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)ethyl]phenol.
Chemical Property Profile of Thymol, 6,6'-(2,2,2-trichloroethylidene)di-
Property Insights of Thymol, 6,6'-(2,2,2-trichloroethylidene)di-
The XLogP value of 7.8 indicates that Thymol, 6,6'-(2,2,2-trichloroethylidene)di- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Thymol, 6,6'-(2,2,2-trichloroethylidene)di- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thymol, 6,6'-(2,2,2-trichloroethylidene)di- 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 Thymol, 6,6'-(2,2,2-trichloroethylidene)di-?
The CAS number of Thymol, 6,6'-(2,2,2-trichloroethylidene)di- is 13479-26-0.
What is the molecular formula of Thymol, 6,6'-(2,2,2-trichloroethylidene)di-?
The molecular formula of Thymol, 6,6'-(2,2,2-trichloroethylidene)di- is C22H27Cl3O2.
What is the molecular weight of Thymol, 6,6'-(2,2,2-trichloroethylidene)di-?
The molecular weight of Thymol, 6,6'-(2,2,2-trichloroethylidene)di- is 428.11 g/mol.
Where can I buy Thymol, 6,6'-(2,2,2-trichloroethylidene)di-?
You can request a quote for Thymol, 6,6'-(2,2,2-trichloroethylidene)di- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymol, 6,6'-(2,2,2-trichloroethylidene)di-?
Yes, KEHONG BIO provides custom synthesis services for Thymol, 6,6'-(2,2,2-trichloroethylidene)di- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.