1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol
TL;DR: 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol (CAS 94386-52-4) is a chemical compound with molecular formula C28H55NO8 and molecular weight 533.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propyl]-N-methyloctadec-9-enamide
Also Known As: EINECS 305-275-3, 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol, 1-O-[2-Hydroxy-3-[methyloleoylamino]propyl]-D-glucitol, 1-O-[2-Hydroxy-3-[methyl[(Z)-1-oxo-9-octadecenyl]amino]propyl]-D-glucitol, (9Z)-N-(2-HYDROXY-3-{[(2S,3R,4R,5R)-2,3,4,5,6-PENTAHYDROXYHEXYL]OXY}PROPYL)-N-METHYLOCTADEC-9-ENAMIDE
| Molecular Formula | C28H55NO8 |
|---|---|
| Molecular Weight | 533.39 g/mol |
| LogP | 2.2957 |
| Topological Polar Surface Area | 150.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 533.39276 |
| Heavy Atoms | 37 |
| Complexity | 562.30023 |
Chemical Identifiers
| CAS Number | 94386-52-4 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(COC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O |
Product Overview
1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol (CAS 94386-52-4), with molecular formula C28H55NO8 and molecular weight 533.39 g/mol. IUPAC: (Z)-N-[2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propyl]-N-methyloctadec-9-enamide.
Chemical Property Profile of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol
Property Insights of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol
The XLogP value of 2.2957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol. The TPSA of 150.92 Ų indicates high polarity, suggesting 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol has 6 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 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol?
The CAS number of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol is 94386-52-4.
What is the molecular formula of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol?
The molecular formula of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol is C28H55NO8.
What is the molecular weight of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol?
The molecular weight of 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol is 533.39 g/mol.
Where can I buy 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol?
You can request a quote for 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(2-Hydroxy-3-(methyloleoylamino)propyl)-D-glucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.