EINECS 269-391-5
TL;DR: EINECS 269-391-5 (CAS 68227-79-2) is a chemical compound with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
Also Known As: 1-(2-Sulfo-p-toluidino)-4-(p-toluidino)anthraquinone, ammonium salt, 5-methyl-2-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenesulfonic acid ammoniate(1:1), Ammonium 4-((9,10-dihydro-9,10-dioxo-4-(p-tolyamino)-1-antryl)amino)toluene-3-sulphonate, azane; 5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid, Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, ammonium salt (1:1)
| Molecular Formula | C28H25N3O5S |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 5.97 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1515 |
| Heavy Atoms | 37 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 68227-79-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O.N |
| InChIKey | XUMDEEQLQOJHBH-UHFFFAOYSA-N |
Product Overview
EINECS 269-391-5 (CAS 68227-79-2), with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol. IUPAC: azane;5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid.
Chemical Property Profile of EINECS 269-391-5
Property Insights of EINECS 269-391-5
The XLogP value of 5.97 indicates that EINECS 269-391-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 269-391-5. Following Lipinski's Rule of Five, EINECS 269-391-5 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-391-5?
The CAS number of EINECS 269-391-5 is 68227-79-2.
What is the molecular formula of EINECS 269-391-5?
The molecular formula of EINECS 269-391-5 is C28H25N3O5S.
What is the molecular weight of EINECS 269-391-5?
The molecular weight of EINECS 269-391-5 is 515.15 g/mol.
Where can I buy EINECS 269-391-5?
You can request a quote for EINECS 269-391-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-391-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-391-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.