Thyromedan hydrochloride
TL;DR: Thyromedan hydrochloride (CAS 57-65-8) is a chemical compound with molecular formula C21H25ClI3NO4 and molecular weight 770.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate;hydrochloride
Also Known As: Thyromedan hydrochloride, Thyromedan HCl, Tyromedan hydrochloride, Thyromedan hydrochloride [USAN], SK&F 13364-A
| Molecular Formula | C21H25ClI3NO4 |
|---|---|
| Molecular Weight | 770.86 g/mol |
| LogP | 6.1506 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 770.8606 |
| Heavy Atoms | 30 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 57-65-8 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)OC)I)I.Cl |
| InChIKey | MNIDQQFSKKUQGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thyromedan hydrochloride (CAS 57-65-8), with molecular formula C21H25ClI3NO4 and molecular weight 770.86 g/mol. IUPAC: 2-(diethylamino)ethyl 2-[3,5-diiodo-4-(3-iodo-4-methoxyphenoxy)phenyl]acetate;hydrochloride.
Chemical Property Profile of Thyromedan hydrochloride
Property Insights of Thyromedan hydrochloride
The XLogP value of 6.1506 indicates that Thyromedan hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Thyromedan hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thyromedan hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thyromedan hydrochloride?
The CAS number of Thyromedan hydrochloride is 57-65-8.
What is the molecular formula of Thyromedan hydrochloride?
The molecular formula of Thyromedan hydrochloride is C21H25ClI3NO4.
What is the molecular weight of Thyromedan hydrochloride?
The molecular weight of Thyromedan hydrochloride is 770.86 g/mol.
Where can I buy Thyromedan hydrochloride?
You can request a quote for Thyromedan hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thyromedan hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thyromedan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.