Propyl Docetrizoate
TL;DR: Propyl Docetrizoate (CAS 5579-08-8) is a chemical compound with molecular formula C14H14I3NO4 and molecular weight 640.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-(diacetylamino)-2,4,6-triiodobenzoate
Also Known As: Propyl docetrizoate, Pulmidol, Propyldocetrizoate, propyli docetrizoas, docetrizoate de propyle
| Molecular Formula | C14H14I3NO4 |
|---|---|
| Molecular Weight | 640.81 g/mol |
| LogP | 3.9666 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 640.8057 |
| Heavy Atoms | 22 |
| Complexity | 617.0042 |
Chemical Identifiers
| CAS Number | 5579-08-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(C(=C(C=C1I)I)N(C(=O)C)C(=O)C)I |
Product Overview
Propyl Docetrizoate (CAS 5579-08-8), with molecular formula C14H14I3NO4 and molecular weight 640.81 g/mol. IUPAC: propyl 3-(diacetylamino)-2,4,6-triiodobenzoate.
Chemical Property Profile of Propyl Docetrizoate
Property Insights of Propyl Docetrizoate
The XLogP value of 3.9666 indicates that Propyl Docetrizoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl Docetrizoate. Following Lipinski's Rule of Five, Propyl Docetrizoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl Docetrizoate?
The CAS number of Propyl Docetrizoate is 5579-08-8.
What is the molecular formula of Propyl Docetrizoate?
The molecular formula of Propyl Docetrizoate is C14H14I3NO4.
What is the molecular weight of Propyl Docetrizoate?
The molecular weight of Propyl Docetrizoate is 640.81 g/mol.
Where can I buy Propyl Docetrizoate?
You can request a quote for Propyl Docetrizoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl Docetrizoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl Docetrizoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.