EINECS 280-112-6
TL;DR: EINECS 280-112-6 (CAS 83006-62-6) is a chemical compound with molecular formula C22H21N3O5S and molecular weight 439.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
Also Known As: EINECS 280-112-6, Ammonium 4-((9,10-dihydro-4-(methylamino)-9,10-dioxoanthryl)amino)toluene-3-sulphonate, ammonium4-[[9,10-dihydro-4- -9,10-dioxoanthryl]amino]toluene-3-sulphonate, Ammonium 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxoanthryl]amino]toluene-3-sulfonate, Ammonium 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxoanthryl]amino]toluene-3-sulphonate
| Molecular Formula | C22H21N3O5S |
|---|---|
| Molecular Weight | 439.12 g/mol |
| LogP | 3.83602 |
| Topological Polar Surface Area | 151.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.12018 |
| Heavy Atoms | 31 |
| Complexity | 1332.9681 |
Chemical Identifiers
| CAS Number | 83006-62-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[NH4+] |
Product Overview
EINECS 280-112-6 (CAS 83006-62-6), with molecular formula C22H21N3O5S and molecular weight 439.12 g/mol. IUPAC: azanium 5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate.
Chemical Property Profile of EINECS 280-112-6
Property Insights of EINECS 280-112-6
The XLogP value of 3.83602 indicates that EINECS 280-112-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.9 Ų indicates high polarity, suggesting EINECS 280-112-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 280-112-6 has 3 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 EINECS 280-112-6?
The CAS number of EINECS 280-112-6 is 83006-62-6.
What is the molecular formula of EINECS 280-112-6?
The molecular formula of EINECS 280-112-6 is C22H21N3O5S.
What is the molecular weight of EINECS 280-112-6?
The molecular weight of EINECS 280-112-6 is 439.12 g/mol.
Where can I buy EINECS 280-112-6?
You can request a quote for EINECS 280-112-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-112-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-112-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.