(1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate
TL;DR: (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate (CAS 53702-48-0) is a chemical compound with molecular formula C39H74O5 and molecular weight 622.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
Also Known As: sn-Sodg, Diacylglycerol, Diglyceride, 1-Stearoyl-2-oleoyl-sn-glycerol, Diacylglycerol(36:1)
| Molecular Formula | C39H74O5 |
|---|---|
| Molecular Weight | 622.55 g/mol |
| LogP | 11.7327 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 35 |
| Exact Mass | 622.55365 |
| Heavy Atoms | 44 |
| Complexity | 632.0025 |
Chemical Identifiers
| CAS Number | 53702-48-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
(1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate (CAS 53702-48-0), with molecular formula C39H74O5 and molecular weight 622.55 g/mol. IUPAC: [(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate.
Chemical Property Profile of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate
Property Insights of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate
The XLogP value of 11.7327 indicates that (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate. Following Lipinski's Rule of Five, (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate?
The CAS number of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate is 53702-48-0.
What is the molecular formula of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate?
The molecular formula of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate is C39H74O5.
What is the molecular weight of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate?
The molecular weight of (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate is 622.55 g/mol.
Where can I buy (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate?
You can request a quote for (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate?
Yes, KEHONG BIO provides custom synthesis services for (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.