(Ir(COD)(PPP))(OTf)
TL;DR: (Ir(COD)(PPP))(OTf) (CAS 276672-81-2) is a chemical compound with molecular formula C50H51F3IrO3P3S- and molecular weight 1074.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;iridium;trifluoromethanesulfonate
Also Known As: (Ir(COD)(PPP))(OTf), [Ir(COD)(PPP)](OTf), Iridium(1+), ((1,2,5,6-eta)-1,5-cyclooctadiene)((2-(diphenylphosphino-kappaP)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1), (1Z,5Z)-cycloocta-1,5-diene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium(1+); trifluoromethanesulfonic acid, (1Z,5Z)-cycloocta-1,5-diene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane; iridium; trifluoromethanesulfonate
| Molecular Formula | C50H51F3IrO3P3S- |
|---|---|
| Molecular Weight | 1074.24 g/mol |
| LogP | 11.1131 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 1074.2354 |
| Heavy Atoms | 61 |
| Complexity | 1938.4774 |
Chemical Identifiers
| CAS Number | 276672-81-2 |
|---|---|
| SMILES | CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Ir] |
Product Overview
(Ir(COD)(PPP))(OTf) (CAS 276672-81-2), with molecular formula C50H51F3IrO3P3S- and molecular weight 1074.24 g/mol. IUPAC: (1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;iridium;trifluoromethanesulfonate.
Chemical Property Profile of (Ir(COD)(PPP))(OTf)
Property Insights of (Ir(COD)(PPP))(OTf)
The XLogP value of 11.1131 indicates that (Ir(COD)(PPP))(OTf) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, (Ir(COD)(PPP))(OTf) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Ir(COD)(PPP))(OTf) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Ir(COD)(PPP))(OTf)?
The CAS number of (Ir(COD)(PPP))(OTf) is 276672-81-2.
What is the molecular formula of (Ir(COD)(PPP))(OTf)?
The molecular formula of (Ir(COD)(PPP))(OTf) is C50H51F3IrO3P3S-.
What is the molecular weight of (Ir(COD)(PPP))(OTf)?
The molecular weight of (Ir(COD)(PPP))(OTf) is 1074.24 g/mol.
Where can I buy (Ir(COD)(PPP))(OTf)?
You can request a quote for (Ir(COD)(PPP))(OTf) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Ir(COD)(PPP))(OTf)?
Yes, KEHONG BIO provides custom synthesis services for (Ir(COD)(PPP))(OTf) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.