Thymol Iodide
TL;DR: Thymol Iodide (CAS 552-22-7) is a chemical compound with molecular formula C20H24I2O2 and molecular weight 549.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] hypoiodite
Also Known As: THYMOL IODIDE, Iodothymol, Iodistol, Iodohydromol, Annidalin
| Molecular Formula | C20H24I2O2 |
|---|---|
| Molecular Weight | 549.99 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 549.9866 |
| Heavy Atoms | 24 |
| Complexity | 352.0 |
| Solubility | READILY SOL IN CHLOROFORM, ETHER, COLLODION, FIXED & VOLATILE OILS; SLIGHTLY SOL IN ALCOHOL; INSOL IN ALKALINE SOLN, WATER, GLYCEROL |
Chemical Identifiers
| CAS Number | 552-22-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C2=CC(=C(C=C2C)OI)C(C)C)C(C)C)OI |
| InChIKey | SHOKWSLXDAIZPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymol Iodide (CAS 552-22-7), with molecular formula C20H24I2O2 and molecular weight 549.99 g/mol. IUPAC: [4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] hypoiodite.
Chemical Property Profile of Thymol Iodide
Property Insights of Thymol Iodide
The XLogP value of 8.2 indicates that Thymol Iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Thymol Iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thymol Iodide has 0 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 Iodide?
The CAS number of Thymol Iodide is 552-22-7.
What is the molecular formula of Thymol Iodide?
The molecular formula of Thymol Iodide is C20H24I2O2.
What is the molecular weight of Thymol Iodide?
The molecular weight of Thymol Iodide is 549.99 g/mol.
Where can I buy Thymol Iodide?
You can request a quote for Thymol Iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymol Iodide?
Yes, KEHONG BIO provides custom synthesis services for Thymol Iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.