RefChem:247757
TL;DR: RefChem:247757 (CAS 102367-00-0) is a chemical compound with molecular formula C13H11F12NO2 and molecular weight 441.06 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-[[1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrol-2-yl]methyl]propan-2-ol
Also Known As: 2,5-Pyrrolediethanol, 1-methyl-alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)-, 2,5-Bis((2-hydroxy-3,3,3-trifluoro-2-trifluoromethyl)propyl)-1-methylpyrrole, 1,1'-(1-Methyl-1H-pyrrole-2,5-diyl)bis[3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol], 1-Methyl-alpha,alpha,alpha ,alpha -tetrakis(trifluoromethyl)-1H-pyrrole-2,5-diethanol, 1,1,1,3,3,3-hexafluoro-2-({1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-1H-pyrrol-2-yl}methyl)propan-2-ol
| Molecular Formula | C13H11F12NO2 |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0598 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 102367-00-0 |
|---|---|
| SMILES | CN1C(=CC=C1CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | MJRYNABQHBHRPX-UHFFFAOYSA-N |
Product Overview
RefChem:247757 (CAS 102367-00-0), with molecular formula C13H11F12NO2 and molecular weight 441.06 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-[[1-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrol-2-yl]methyl]propan-2-ol.
Chemical Property Profile of RefChem:247757
Property Insights of RefChem:247757
The XLogP value of 4.1 indicates that RefChem:247757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, RefChem:247757 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:247757 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 RefChem:247757?
The CAS number of RefChem:247757 is 102367-00-0.
What is the molecular formula of RefChem:247757?
The molecular formula of RefChem:247757 is C13H11F12NO2.
What is the molecular weight of RefChem:247757?
The molecular weight of RefChem:247757 is 441.06 g/mol.
Where can I buy RefChem:247757?
You can request a quote for RefChem:247757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:247757?
Yes, KEHONG BIO provides custom synthesis services for RefChem:247757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.