C004BVXGHG
TL;DR: C004BVXGHG (CAS 34844-42-3) is a chemical compound with molecular formula C13H20F6O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
Also Known As: Cyclohexanol, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-6-isopropyl-3-methyl-, 2-((1-Hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl)-6-isopropyl-3-methyl cyclohexanol, 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3-methyl-6-propan-2-ylcyclohexanol, C(O)(C1C(C)CCC(C(C)C)C1O)(C(F)(F)F)C(F)(F)F, Thymol, 1,2,3,4,5,6-hexahydro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-
| Molecular Formula | C13H20F6O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.13675 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 34844-42-3 |
|---|---|
| SMILES | CC1CCC(C(C1C(C(F)(F)F)(C(F)(F)F)O)O)C(C)C |
| InChIKey | RWABFIHTJVNYGG-UHFFFAOYSA-N |
Product Overview
C004BVXGHG (CAS 34844-42-3), with molecular formula C13H20F6O2 and molecular weight 322.14 g/mol. IUPAC: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-ol.
Chemical Property Profile of C004BVXGHG
Property Insights of C004BVXGHG
The XLogP value of 4.9 indicates that C004BVXGHG is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, C004BVXGHG exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C004BVXGHG has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C004BVXGHG?
The CAS number of C004BVXGHG is 34844-42-3.
What is the molecular formula of C004BVXGHG?
The molecular formula of C004BVXGHG is C13H20F6O2.
What is the molecular weight of C004BVXGHG?
The molecular weight of C004BVXGHG is 322.14 g/mol.
Where can I buy C004BVXGHG?
You can request a quote for C004BVXGHG directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C004BVXGHG?
Yes, KEHONG BIO provides custom synthesis services for C004BVXGHG and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.