EINECS 272-521-3
TL;DR: EINECS 272-521-3 (CAS 68867-63-0) is a chemical compound with molecular formula C36H14Cl6N12Na4O14S4 and molecular weight 1267.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;6,13-dichloro-3,10-bis[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatoanilino]-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonate
Also Known As: EINECS 272-521-3, Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulfophenyl]amino]-, tetrasodium salt, 6,13-Dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulfophenyl)amino)triphenodioxazinedisulfonic acid, tetrasodium salt, Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulfophenyl)amino)-, sodium salt (1:4), Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)sulfophenyl)amino)-, tetrasodium salt
| Molecular Formula | C36H14Cl6N12Na4O14S4 |
|---|---|
| Molecular Weight | 1267.74 g/mol |
| LogP | -5.3022 |
| Topological Polar Surface Area | 397.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 12 |
| Exact Mass | 1267.7357 |
| Heavy Atoms | 76 |
| Complexity | 3886.8945 |
Chemical Identifiers
| CAS Number | 68867-63-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=C(C=C3C(=C2)OC4=C(C5=NC6=CC(=C(C=C6OC5=C(C4=N3)Cl)NC7=CC(=C(C=C7)NC8=NC(=NC(=N8)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])NC9=NC(=NC(=N9)Cl)Cl.[Na+].[Na+].[Na+].[Na+] |
Product Overview
EINECS 272-521-3 (CAS 68867-63-0), with molecular formula C36H14Cl6N12Na4O14S4 and molecular weight 1267.74 g/mol. IUPAC: tetrasodium;6,13-dichloro-3,10-bis[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulfonatoanilino]-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonate.
Chemical Property Profile of EINECS 272-521-3
Property Insights of EINECS 272-521-3
The XLogP value of -5.3022 indicates that EINECS 272-521-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 397.44 Ų indicates high polarity, suggesting EINECS 272-521-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 272-521-3 has 4 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 272-521-3?
The CAS number of EINECS 272-521-3 is 68867-63-0.
What is the molecular formula of EINECS 272-521-3?
The molecular formula of EINECS 272-521-3 is C36H14Cl6N12Na4O14S4.
What is the molecular weight of EINECS 272-521-3?
The molecular weight of EINECS 272-521-3 is 1267.74 g/mol.
Where can I buy EINECS 272-521-3?
You can request a quote for EINECS 272-521-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 272-521-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 272-521-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.