1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one
TL;DR: 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one (CAS 86456-16-8) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethylamino]-7-methoxyxanthen-9-one
Also Known As: 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one, 3548AC, NCI60_003191, 1-(2-dimethylaminoethylamino)-7-methoxyxanthen-9-one, 1-(2-dimethylaminoethylamino)-7-methoxy-xanthen-9-one
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 86456-16-8 |
|---|---|
| SMILES | CN(C)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)OC |
| InChIKey | VZEANJLRFRGUBQ-UHFFFAOYSA-N |
Product Overview
1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one (CAS 86456-16-8), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-7-methoxyxanthen-9-one.
Chemical Property Profile of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one
Property Insights of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one
The XLogP value of 3.5 indicates that 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one?
The CAS number of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one is 86456-16-8.
What is the molecular formula of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one?
The molecular formula of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one is C18H20N2O3.
What is the molecular weight of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one?
The molecular weight of 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one is 312.15 g/mol.
Where can I buy 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one?
You can request a quote for 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.