4-tert-Butyl-2-chlorophenol
TL;DR: 4-tert-Butyl-2-chlorophenol (CAS 98-28-2) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-chlorophenol
Also Known As: 4-tert-Butyl-2-chlorophenol, 2-Chloro-4-tert-butylphenol, 4-(tert-butyl)-2-chlorophenol, crufomate metabolite, Phenol, 4-tert-butyl-2-chloro-
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 98-28-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)Cl |
| InChIKey | PRLINSMUYJWPBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-2-chlorophenol (CAS 98-28-2), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 4-tert-butyl-2-chlorophenol.
Chemical Property Profile of 4-tert-Butyl-2-chlorophenol
Property Insights of 4-tert-Butyl-2-chlorophenol
The XLogP value of 3.9 indicates that 4-tert-Butyl-2-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-tert-Butyl-2-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-2-chlorophenol has 1 hydrogen bond donor(s) and 1 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 4-tert-Butyl-2-chlorophenol?
The CAS number of 4-tert-Butyl-2-chlorophenol is 98-28-2.
What is the molecular formula of 4-tert-Butyl-2-chlorophenol?
The molecular formula of 4-tert-Butyl-2-chlorophenol is C10H13ClO.
What is the molecular weight of 4-tert-Butyl-2-chlorophenol?
The molecular weight of 4-tert-Butyl-2-chlorophenol is 184.07 g/mol.
Where can I buy 4-tert-Butyl-2-chlorophenol?
You can request a quote for 4-tert-Butyl-2-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-2-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.