EINECS 229-666-2
TL;DR: EINECS 229-666-2 (CAS 6648-62-0) is a chemical compound with molecular formula C22H18N2O6S and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] N,N-dimethylsulfamate
Also Known As: 3-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]phenyl dimethylsulfamate, 4-((9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino)phenyl dimethylsulfamate, Anthracene, 4-((4-(dimethylsulfamato)phenyl)amino)-1-hydroxy-9,10-dihydro-9,10-dioxo-, Sulfamic acid, dimethyl-, 4-((9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino)phenyl ester, [3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] N,N-dimethylsulfamate
| Molecular Formula | C22H18N2O6S |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.08856 |
| Heavy Atoms | 31 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 6648-62-0 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=CC=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | TXKTZQOZBUUKSL-UHFFFAOYSA-N |
Product Overview
EINECS 229-666-2 (CAS 6648-62-0), with molecular formula C22H18N2O6S and molecular weight 438.09 g/mol. IUPAC: [3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] N,N-dimethylsulfamate.
Chemical Property Profile of EINECS 229-666-2
Property Insights of EINECS 229-666-2
The XLogP value of 4.6 indicates that EINECS 229-666-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 229-666-2. Following Lipinski's Rule of Five, EINECS 229-666-2 has 2 hydrogen bond donor(s) and 8 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 EINECS 229-666-2?
The CAS number of EINECS 229-666-2 is 6648-62-0.
What is the molecular formula of EINECS 229-666-2?
The molecular formula of EINECS 229-666-2 is C22H18N2O6S.
What is the molecular weight of EINECS 229-666-2?
The molecular weight of EINECS 229-666-2 is 438.09 g/mol.
Where can I buy EINECS 229-666-2?
You can request a quote for EINECS 229-666-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-666-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-666-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.