2-(Trifluoromethyl)benzhydrol
TL;DR: 2-(Trifluoromethyl)benzhydrol (CAS 727-98-0) is a chemical compound with molecular formula C26H37NO2 and molecular weight 395.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]acetonitrile
Also Known As: 2-(Trifluoromethyl)benzhydrol, 2-[10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]acetonitrile
| Molecular Formula | C26H37NO2 |
|---|---|
| Molecular Weight | 395.28 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.28244 |
| Heavy Atoms | 29 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 727-98-0 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=CC#N)CC=C4C3(CCC(C4)OC5CCCCO5)C |
| InChIKey | JYIVYQUKEVPWQK-UHFFFAOYSA-N |
Product Overview
2-(Trifluoromethyl)benzhydrol (CAS 727-98-0), with molecular formula C26H37NO2 and molecular weight 395.28 g/mol. IUPAC: 2-[10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]acetonitrile.
Chemical Property Profile of 2-(Trifluoromethyl)benzhydrol
Property Insights of 2-(Trifluoromethyl)benzhydrol
The XLogP value of 5.4 indicates that 2-(Trifluoromethyl)benzhydrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 2-(Trifluoromethyl)benzhydrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)benzhydrol 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 2-(Trifluoromethyl)benzhydrol?
The CAS number of 2-(Trifluoromethyl)benzhydrol is 727-98-0.
What is the molecular formula of 2-(Trifluoromethyl)benzhydrol?
The molecular formula of 2-(Trifluoromethyl)benzhydrol is C26H37NO2.
What is the molecular weight of 2-(Trifluoromethyl)benzhydrol?
The molecular weight of 2-(Trifluoromethyl)benzhydrol is 395.28 g/mol.
Where can I buy 2-(Trifluoromethyl)benzhydrol?
You can request a quote for 2-(Trifluoromethyl)benzhydrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)benzhydrol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)benzhydrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.