WR 194965
TL;DR: WR 194965 (CAS 69121-82-0) is a chemical compound with molecular formula C21H28ClNO and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol
Also Known As: pentachlorophenyl benzenesulfonate, WR 194965, NCI60_002600, WR 194,965, 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol
| Molecular Formula | C21H28ClNO |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.18594 |
| Heavy Atoms | 24 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 69121-82-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C2=CC=C(C=C2)Cl)O)CNC(C)(C)C |
| InChIKey | QXEUTSONLCRQHV-UHFFFAOYSA-N |
Product Overview
WR 194965 (CAS 69121-82-0), with molecular formula C21H28ClNO and molecular weight 345.19 g/mol. IUPAC: 4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol.
Chemical Property Profile of WR 194965
Property Insights of WR 194965
The XLogP value of 6.4 indicates that WR 194965 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, WR 194965 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WR 194965 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 WR 194965?
The CAS number of WR 194965 is 69121-82-0.
What is the molecular formula of WR 194965?
The molecular formula of WR 194965 is C21H28ClNO.
What is the molecular weight of WR 194965?
The molecular weight of WR 194965 is 345.19 g/mol.
Where can I buy WR 194965?
You can request a quote for WR 194965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 194965?
Yes, KEHONG BIO provides custom synthesis services for WR 194965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.