Einecs 274-416-8
TL;DR: Einecs 274-416-8 (CAS 12238-08-3) is a chemical compound with molecular formula C22H17ClN6Na2O9S2 and molecular weight 654.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Also Known As: C.I. Reactive Red 13, disodium;7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate, 2-Naphthalenesulfonic acid, 7-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, disodium salt, 2-Naphthalenesulfonic acid, 7-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2), 2-Naphthalenesulfonicacid,7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-,sodium salt (1:2)
| Molecular Formula | C22H17ClN6Na2O9S2 |
|---|---|
| Molecular Weight | 654.00 g/mol |
| LogP | -2.5995 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 653.9982 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 12238-08-3 |
|---|---|
| SMILES | CN(C1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=C(C=C(C=C3)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])C4=NC(=NC(=N4)Cl)OC.[Na+].[Na+] |
| InChIKey | GFADAFOBDDOICY-UHFFFAOYSA-L |
Product Overview
Einecs 274-416-8 (CAS 12238-08-3), with molecular formula C22H17ClN6Na2O9S2 and molecular weight 654.00 g/mol. IUPAC: disodium;7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of Einecs 274-416-8
Property Insights of Einecs 274-416-8
The XLogP value of -2.5995 indicates that Einecs 274-416-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Einecs 274-416-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 274-416-8 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 274-416-8?
The CAS number of Einecs 274-416-8 is 12238-08-3.
What is the molecular formula of Einecs 274-416-8?
The molecular formula of Einecs 274-416-8 is C22H17ClN6Na2O9S2.
What is the molecular weight of Einecs 274-416-8?
The molecular weight of Einecs 274-416-8 is 654.00 g/mol.
Where can I buy Einecs 274-416-8?
You can request a quote for Einecs 274-416-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 274-416-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 274-416-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.