Chlorothymol
TL;DR: Chlorothymol (CAS 89-68-9) 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-chloro-5-methyl-2-propan-2-ylphenol
Also Known As: Chlorothymol, 6-Chlorothymol, 4-Chloro-2-isopropyl-5-methylphenol, 4-Chlorothymol, Chlorthymol
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 89-68-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)O |
| InChIKey | KFZXVMNBUMVKLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorothymol (CAS 89-68-9), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 4-chloro-5-methyl-2-propan-2-ylphenol.
Chemical Property Profile of Chlorothymol
Property Insights of Chlorothymol
The XLogP value of 3.9 indicates that Chlorothymol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Chlorothymol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorothymol 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 Chlorothymol?
The CAS number of Chlorothymol is 89-68-9.
What is the molecular formula of Chlorothymol?
The molecular formula of Chlorothymol is C10H13ClO.
What is the molecular weight of Chlorothymol?
The molecular weight of Chlorothymol is 184.07 g/mol.
Where can I buy Chlorothymol?
You can request a quote for Chlorothymol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorothymol?
Yes, KEHONG BIO provides custom synthesis services for Chlorothymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.