3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one
TL;DR: 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one (CAS 81760-57-8) is a chemical compound with molecular formula C26H28Cl2F3NO and molecular weight 497.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-one
Also Known As: EINECS 279-810-3, 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one, 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-one, 3- -1-[1,3-dichloro-6- -9-phenanthryl]propan-1-one, 3-(DIBUTYLAMINO)-1-[1,3-DICHLORO-6-(TRIFLUOROMETHYL)-9-PHENANTHRYL]PROPAN-1-ONE
| Molecular Formula | C26H28Cl2F3NO |
|---|---|
| Molecular Weight | 497.15 g/mol |
| LogP | 8.7936 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.15 |
| Heavy Atoms | 33 |
| Complexity | 1136.0204 |
Chemical Identifiers
| CAS Number | 81760-57-8 |
|---|---|
| SMILES | CCCCN(CCCC)CCC(=O)C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F |
Product Overview
3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one (CAS 81760-57-8), with molecular formula C26H28Cl2F3NO and molecular weight 497.15 g/mol. IUPAC: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-one.
Chemical Property Profile of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one
Property Insights of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one
The XLogP value of 8.7936 indicates that 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one?
The CAS number of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one is 81760-57-8.
What is the molecular formula of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one?
The molecular formula of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one is C26H28Cl2F3NO.
What is the molecular weight of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one?
The molecular weight of 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one is 497.15 g/mol.
Where can I buy 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one?
You can request a quote for 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.