KST-1A4031
TL;DR: KST-1A4031 (CAS 34547-10-9) is a chemical compound with molecular formula C18H19I4NO6 and molecular weight 852.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: KST-1A4031, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid- 2,2'-iminodiethanol(1:1), 3,3',5'-Tetraiodothyroacetic acid N-diethanolamine, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid-2,2'-iminodiethanol(1:1), 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic a
| Molecular Formula | C18H19I4NO6 |
|---|---|
| Molecular Weight | 852.74 g/mol |
| LogP | 3.7906 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 852.7391 |
| Heavy Atoms | 29 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 34547-10-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)O.C(CO)NCCO |
| InChIKey | ANIPYLYMTJFUAR-UHFFFAOYSA-N |
Product Overview
KST-1A4031 (CAS 34547-10-9), with molecular formula C18H19I4NO6 and molecular weight 852.74 g/mol. IUPAC: 2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of KST-1A4031
Property Insights of KST-1A4031
The XLogP value of 3.7906 indicates that KST-1A4031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4031. Following Lipinski's Rule of Five, KST-1A4031 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A4031?
The CAS number of KST-1A4031 is 34547-10-9.
What is the molecular formula of KST-1A4031?
The molecular formula of KST-1A4031 is C18H19I4NO6.
What is the molecular weight of KST-1A4031?
The molecular weight of KST-1A4031 is 852.74 g/mol.
Where can I buy KST-1A4031?
You can request a quote for KST-1A4031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4031?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.