3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-
TL;DR: 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- (CAS 112648-26-7) is a chemical compound with molecular formula C27H32F3NO and molecular weight 443.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
Also Known As: 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-, Estra-1,3,5(10)-trien-17-amine, 3-methoxy-N-((3-(trifluoromethyl)phenyl)methyl)-, (17beta)-, 3-Methoxy-N-{[3-(trifluoromethyl)phenyl]methyl}estra-1(10),2,4-trien-17-amine, 3-Methoxy-N-{[3-(trifluoromethyl)phenyl]methyl}estra-1(10),2,4-trien-17beta-amine, (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
| Molecular Formula | C27H32F3NO |
|---|---|
| Molecular Weight | 443.24 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.2436 |
| Heavy Atoms | 32 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 112648-26-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCC4=CC(=CC=C4)C(F)(F)F)CCC5=C3C=CC(=C5)OC |
| InChIKey | KVEJLPFDAKDLEH-JMTTVTNBSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- (CAS 112648-26-7), with molecular formula C27H32F3NO and molecular weight 443.24 g/mol. IUPAC: (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine.
Chemical Property Profile of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-
Property Insights of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-
The XLogP value of 5.7 indicates that 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-?
The CAS number of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- is 112648-26-7.
What is the molecular formula of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-?
The molecular formula of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- is C27H32F3NO.
What is the molecular weight of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-?
The molecular weight of 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- is 443.24 g/mol.
Where can I buy 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-?
You can request a quote for 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-N-((3-(trifluoromethyl)phenyl)methyl)estra-1,3,5(10)-trien-17-amine (17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.