![(5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine structure](/static/products/7257/72575-56-5.webp)
(5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
TL;DR: (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (CAS 72575-56-5) is a chemical compound with molecular formula C20H21F3N2O3 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Also Known As: (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitro-3- (trifluoromethyl)phenoxy)-, cis-, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitro-3-(trifluoromethyl)phenoxy)-, cis-, 5H-Benzocyclohepten-7-amine,6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitro-3- -,cis-, RefChem:305338
| Molecular Formula | C20H21F3N2O3 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 5.0002 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.15042 |
| Heavy Atoms | 28 |
| Complexity | 868.0147 |
Chemical Identifiers
| CAS Number | 72575-56-5 |
|---|---|
| SMILES | CN(C)[C@H]1CCC2=CC=CC=C2[C@H](C1)OC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
(5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (CAS 72575-56-5), with molecular formula C20H21F3N2O3 and molecular weight 394.15 g/mol. IUPAC: (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.
Chemical Property Profile of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Property Insights of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
The XLogP value of 5.0002 indicates that (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The CAS number of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is 72575-56-5.
What is the molecular formula of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The molecular formula of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is C20H21F3N2O3.
What is the molecular weight of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The molecular weight of (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is 394.15 g/mol.
Where can I buy (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
You can request a quote for (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
Yes, KEHONG BIO provides custom synthesis services for (5S,7S)-N,N-dimethyl-5-[4-nitro-3-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.