5-(Octadecylthiocarbamoylamino)fluorescein
TL;DR: 5-(Octadecylthiocarbamoylamino)fluorescein (CAS 65603-18-1) is a chemical compound with molecular formula C39H50N2O5S and molecular weight 658.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-octadecylthiourea
Also Known As: F 18 Fluorescein, 5-(Octadecylthiocarbamoylamino)fluorescein, n'-octadecylfluorescein-5-thiourea, N-Octadecylfluorescein-5-thiourea, N-(Fluorescein-5-thiocarbamoyl)octadecylamine
| Molecular Formula | C39H50N2O5S |
|---|---|
| Molecular Weight | 658.34 g/mol |
| LogP | 10.2137 |
| Topological Polar Surface Area | 100.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 658.34406 |
| Heavy Atoms | 47 |
| Complexity | 1471.6936 |
Chemical Identifiers
| CAS Number | 65603-18-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=S)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O |
Product Overview
5-(Octadecylthiocarbamoylamino)fluorescein (CAS 65603-18-1), with molecular formula C39H50N2O5S and molecular weight 658.34 g/mol. IUPAC: 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-octadecylthiourea.
Chemical Property Profile of 5-(Octadecylthiocarbamoylamino)fluorescein
Property Insights of 5-(Octadecylthiocarbamoylamino)fluorescein
The XLogP value of 10.2137 indicates that 5-(Octadecylthiocarbamoylamino)fluorescein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Octadecylthiocarbamoylamino)fluorescein. Following Lipinski's Rule of Five, 5-(Octadecylthiocarbamoylamino)fluorescein has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Octadecylthiocarbamoylamino)fluorescein?
The CAS number of 5-(Octadecylthiocarbamoylamino)fluorescein is 65603-18-1.
What is the molecular formula of 5-(Octadecylthiocarbamoylamino)fluorescein?
The molecular formula of 5-(Octadecylthiocarbamoylamino)fluorescein is C39H50N2O5S.
What is the molecular weight of 5-(Octadecylthiocarbamoylamino)fluorescein?
The molecular weight of 5-(Octadecylthiocarbamoylamino)fluorescein is 658.34 g/mol.
Where can I buy 5-(Octadecylthiocarbamoylamino)fluorescein?
You can request a quote for 5-(Octadecylthiocarbamoylamino)fluorescein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Octadecylthiocarbamoylamino)fluorescein?
Yes, KEHONG BIO provides custom synthesis services for 5-(Octadecylthiocarbamoylamino)fluorescein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.