![4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) structure](/static/products/6945/6945-04-6.webp)
4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)
TL;DR: 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) (CAS 6945-04-6) is a chemical compound with molecular formula C23H31F3O3 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione
Also Known As: 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name), 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione, 4,4,4-Trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione, 4,4,4-Trifluoro-1-(7-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl)butane-1,3-dione
| Molecular Formula | C23H31F3O3 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.22253 |
| Heavy Atoms | 29 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 6945-04-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)CC(=O)C(F)(F)F)CC=C4C3(CCC(C4)O)C |
| InChIKey | YSCAUZWVQYQONN-UHFFFAOYSA-N |
Product Overview
4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) (CAS 6945-04-6), with molecular formula C23H31F3O3 and molecular weight 412.22 g/mol. IUPAC: 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione.
Chemical Property Profile of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)
Property Insights of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)
The XLogP value of 5.2 indicates that 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)?
The CAS number of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) is 6945-04-6.
What is the molecular formula of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)?
The molecular formula of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) is C23H31F3O3.
What is the molecular weight of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)?
The molecular weight of 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) is 412.22 g/mol.
Where can I buy 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)?
You can request a quote for 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name)?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-trifluoro-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)butane-1,3-dione(non-preferred name) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.