8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate
TL;DR: 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate (CAS 86456-20-4) is a chemical compound with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[2-(dimethylamino)ethylamino]-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate
Also Known As: 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate, 3550AC, [8-[2-(dimethylamino)ethylamino]-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate, [8-(2-dimethylaminoethylamino)-9-oxo-xanthen-2-yl] 4-methylbenzenesulfonate, [8-(2-dimethylaminoethylamino)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate
| Molecular Formula | C24H24N2O5S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.1406 |
| Heavy Atoms | 32 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 86456-20-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC4=CC=CC(=C4C3=O)NCCN(C)C |
| InChIKey | FGZKSRRBULAADD-UHFFFAOYSA-N |
Product Overview
8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate (CAS 86456-20-4), with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol. IUPAC: [8-[2-(dimethylamino)ethylamino]-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate
Property Insights of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate
The XLogP value of 5.0 indicates that 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 7 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 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate?
The CAS number of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate is 86456-20-4.
What is the molecular formula of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate?
The molecular formula of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate is C24H24N2O5S.
What is the molecular weight of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate?
The molecular weight of 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate is 452.14 g/mol.
Where can I buy 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate?
You can request a quote for 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-(Dimethylamino)ethyl)amino)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.