I-Tid-PC-16
TL;DR: I-Tid-PC-16 (CAS 156996-76-8) is a chemical compound with molecular formula C43H70F3IN3O10P and molecular weight 1001.3797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-3-hexadecanoyloxy-2-[10-[[2-(125I)iodo-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: I-Tid-PC-16, 1-Palmitoyl-2-(decanedioyl mono-(2-iodo-4-(3-trifluoromethyl-3H-diazirin-3-yl)benzyl)ester)glycero-3-phosphocholine, [(2R)-3-Hexadecanoyloxy-2-[10-[[2-(125I)iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, (14r)-17-hydroxy-1-(2-(iodo-125i)-4-(3-(trifluoromethyl)-3h-diazirin-3-yl)phenyl)-n,n,n-trimethyl-3,12-dioxo-14-(((1-oxohexadecyl)oxy)methyl)-2,13,16,18-tetraoxa-17-phosphaeicosan-20-aminium inner salt 17-oxide, (14R)-17-Hydroxy-1-[2-(iodo-125I)-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]-N,N,N-trimethyl-3,12-dioxo-14-[[(1-oxohexadecyl)oxy]methyl]-2,13,16,18-Tetraoxa-17-phosphaeicosan-20-aminium inner salt 17-oxide
Technical Specifications
| Molecular Formula | C43H70F3IN3O10P |
| Molecular Weight | 1001.3797 g/mol |
| XLogP | 11.9 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 39 |
| Exact Mass | 1001.3797 Da |
| Heavy Atoms | 61 |
| Complexity | 1320.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(=O)OCC1=C(C=C(C=C1)C2(N=N2)C(F)(F)F)[125I] |
| InChIKey | ARMUBPQMRBSKNL-ZRKYHJCISA-N |
Chemical Property Profile of I-Tid-PC-16
Property Insights of I-Tid-PC-16
The XLogP value of 11.9 indicates that I-Tid-PC-16 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting I-Tid-PC-16 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I-Tid-PC-16 has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of I-Tid-PC-16?
The CAS number of I-Tid-PC-16 is 156996-76-8.
What is the molecular formula of I-Tid-PC-16?
The molecular formula of I-Tid-PC-16 is C43H70F3IN3O10P.
What is the molecular weight of I-Tid-PC-16?
The molecular weight of I-Tid-PC-16 is 1001.3797 g/mol.
Where can I buy I-Tid-PC-16?
You can request a quote for I-Tid-PC-16 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for I-Tid-PC-16?
Yes, CoreyChem provides custom synthesis services for I-Tid-PC-16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.