m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-
TL;DR: m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- (CAS 21282-43-9) is a chemical compound with molecular formula C16H15Cl3O2 and molecular weight 344.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methylphenyl)ethyl]phenol
Also Known As: m-CRESOL, 4,4'-(2,2,2-TRICHLOROETHYLIDENE)DI-, 4,4'-(2,2,2-Trichloroethylidene)bis(3-methylphenol), 3-06-00-05479 (Beilstein Handbook Reference), 3-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methylphenyl)ethyl]phenol, 4,4'-(2,2,2-trichloroethane-1,1-diyl)bis(3-methylphenol)
| Molecular Formula | C16H15Cl3O2 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.01376 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 21282-43-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)C(C2=C(C=C(C=C2)O)C)C(Cl)(Cl)Cl |
| InChIKey | BKCWHEIYUYYYHA-UHFFFAOYSA-N |
Product Overview
m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- (CAS 21282-43-9), with molecular formula C16H15Cl3O2 and molecular weight 344.01 g/mol. IUPAC: 3-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methylphenyl)ethyl]phenol.
Chemical Property Profile of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-
Property Insights of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-
The XLogP value of 5.5 indicates that m-Cresol, 4,4'-(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, m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Cresol, 4,4'-(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 m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-?
The CAS number of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- is 21282-43-9.
What is the molecular formula of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-?
The molecular formula of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- is C16H15Cl3O2.
What is the molecular weight of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-?
The molecular weight of m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- is 344.01 g/mol.
Where can I buy m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-?
You can request a quote for m-Cresol, 4,4'-(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 m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-?
Yes, KEHONG BIO provides custom synthesis services for m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.