1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TL;DR: 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol (CAS 958771-19-2) is a chemical compound with molecular formula C46H84O5 and molecular weight 716.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-henicosanoyloxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Also Known As: DG(43:3), DG(21:0/22:3/0:0)[iso2], DG(21:0_22:3), 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol, DG(21:0/22:3(10Z,13Z,16Z)/0:0)
| Molecular Formula | C46H84O5 |
|---|---|
| Molecular Weight | 716.63 g/mol |
| LogP | 14.0154 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 40 |
| Exact Mass | 716.6319 |
| Heavy Atoms | 51 |
| Complexity | 816.4562 |
Chemical Identifiers
| CAS Number | 958771-19-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC |
Product Overview
1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol (CAS 958771-19-2), with molecular formula C46H84O5 and molecular weight 716.63 g/mol. IUPAC: [(2S)-1-henicosanoyloxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate.
Chemical Property Profile of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
Property Insights of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
The XLogP value of 14.0154 indicates that 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol 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 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol. Following Lipinski's Rule of Five, 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol 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 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol?
The CAS number of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol is 958771-19-2.
What is the molecular formula of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol?
The molecular formula of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol is C46H84O5.
What is the molecular weight of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol?
The molecular weight of 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol is 716.63 g/mol.
Where can I buy 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol?
You can request a quote for 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol?
Yes, KEHONG BIO provides custom synthesis services for 1-heneicosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.