2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)
TL;DR: 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) (CAS 80360-43-6) is a chemical compound with molecular formula C13H7F12IO2 and molecular weight 549.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodo-5-methylphenyl]propan-2-ol
Also Known As: 2-(Benzoylmethyl)-pyrimidine, 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol), 1,1,1,3,3,3-hexafluoro-2-[3- -2-iodo-5-methyl-phenyl]propan-2-ol, 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodo-5-methylphenyl]propan-2-ol, 1,1,1,3,3,3-HEXAFLUORO-2-[3-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXY-PROPAN-2 -YL)-2-IODO-5-METHYL-PHENYL]PROPAN-2-OL
| Molecular Formula | C13H7F12IO2 |
|---|---|
| Molecular Weight | 549.93 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 549.92993 |
| Heavy Atoms | 28 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 80360-43-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)I)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | KHWTWCQKLDZSTF-UHFFFAOYSA-N |
Product Overview
2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) (CAS 80360-43-6), with molecular formula C13H7F12IO2 and molecular weight 549.93 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-iodo-5-methylphenyl]propan-2-ol.
Chemical Property Profile of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)
Property Insights of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)
The XLogP value of 5.3 indicates that 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)?
The CAS number of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) is 80360-43-6.
What is the molecular formula of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)?
The molecular formula of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) is C13H7F12IO2.
What is the molecular weight of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)?
The molecular weight of 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) is 549.93 g/mol.
Where can I buy 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)?
You can request a quote for 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(2-Iodo-5-methyl-1,3-phenylene)bis(hexafluoropropan-2-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.