3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate
TL;DR: 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate (CAS 85703-73-7) is a chemical compound with molecular formula C28H53N2O7PS and molecular weight 592.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate
Also Known As: 3-Motp, CV 3988, CV-3988 hydrate, 85703-73-7 (anhydrous), SDCCGSBI-0051030.P002
| Molecular Formula | C28H53N2O7PS |
|---|---|
| Molecular Weight | 592.33 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Exact Mass | 592.3311 |
| Heavy Atoms | 39 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 85703-73-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CSC=C1)OC |
| InChIKey | NMHKTASGTFXJPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate (CAS 85703-73-7), with molecular formula C28H53N2O7PS and molecular weight 592.33 g/mol. IUPAC: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate.
Chemical Property Profile of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate
Property Insights of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate
The XLogP value of 8.2 indicates that 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate. Following Lipinski's Rule of Five, 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate?
The CAS number of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate is 85703-73-7.
What is the molecular formula of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate?
The molecular formula of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate is C28H53N2O7PS.
What is the molecular weight of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate?
The molecular weight of 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate is 592.33 g/mol.
Where can I buy 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate?
You can request a quote for 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.