Tyropanoate Sodium
TL;DR: Tyropanoate Sodium (CAS 7246-21-1) is a chemical compound with molecular formula C15H17I3NNaO3 and molecular weight 662.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate
Also Known As: Tyropanoate sodium, Sodium tyropanoate, Bilopaque, Lumopaque, Tyropaque
| Molecular Formula | C15H17I3NNaO3 |
|---|---|
| Molecular Weight | 662.82 g/mol |
| LogP | 0.5616 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 662.824 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 7246-21-1 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)[O-])I)I.[Na+] |
| InChIKey | KTVKGXZZBQCBGD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tyropanoate Sodium (CAS 7246-21-1), with molecular formula C15H17I3NNaO3 and molecular weight 662.82 g/mol. IUPAC: sodium 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate.
Chemical Property Profile of Tyropanoate Sodium
Property Insights of Tyropanoate Sodium
The XLogP value of 0.5616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tyropanoate Sodium. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tyropanoate Sodium. Following Lipinski's Rule of Five, Tyropanoate Sodium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tyropanoate Sodium?
The CAS number of Tyropanoate Sodium is 7246-21-1.
What is the molecular formula of Tyropanoate Sodium?
The molecular formula of Tyropanoate Sodium is C15H17I3NNaO3.
What is the molecular weight of Tyropanoate Sodium?
The molecular weight of Tyropanoate Sodium is 662.82 g/mol.
Where can I buy Tyropanoate Sodium?
You can request a quote for Tyropanoate Sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tyropanoate Sodium?
Yes, KEHONG BIO provides custom synthesis services for Tyropanoate Sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.