![(7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](/static/products/457/457050-20-3.png)
(7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
TL;DR: (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 457050-20-3) is a chemical compound with molecular formula C35H37FN2O5 and molecular weight 584.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one, (7S)-10-{[2-(4-fluorophenyl)ethyl]amino}-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one, (7S,10Z)-10-{[2-(4-fluorophenyl)ethyl]iminio}-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate, (S)-10-((4-fluorophenethyl)amino)-7-((2-hydroxybenzyl)(methyl)amino)-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C35H37FN2O5 |
|---|---|
| Molecular Weight | 584.27 g/mol |
| LogP | 6.3582 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.2687 |
| Heavy Atoms | 43 |
| Complexity | 1658.1787 |
Chemical Identifiers
| CAS Number | 457050-20-3 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1O)[C@H]2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)NCCC5=CC=C(C=C5)F)OC)OC)OC |
Product Overview
(7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 457050-20-3), with molecular formula C35H37FN2O5 and molecular weight 584.27 g/mol. IUPAC: (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Property Insights of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
The XLogP value of 6.3582 indicates that (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one. Following Lipinski's Rule of Five, (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The CAS number of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is 457050-20-3.
What is the molecular formula of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular formula of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is C35H37FN2O5.
What is the molecular weight of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
The molecular weight of (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one is 584.27 g/mol.
Where can I buy (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
You can request a quote for (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one?
Yes, KEHONG BIO provides custom synthesis services for (7S)-10-[2-(4-fluorophenyl)ethylamino]-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.