EINECS 227-640-5
TL;DR: EINECS 227-640-5 (CAS 5915-60-6) is a chemical compound with molecular formula C48H32N8Na2O8S6 and molecular weight 1086.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-(1,3-benzothiazol-6-yl)-2-[4-[(2Z)-2-[(5E)-5-[[4-[2-(1,3-benzothiazol-6-yl)-6-methyl-7-sulfonato-4H-1,3-benzothiazol-2-yl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]phenyl]-6-methyl-4H-1,3-benzothiazole-7-sulfonate
Also Known As: EINECS 227-640-5, Disodium 2',2'''-((2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenylene))bis(6-methyl(2,6'-bibenzothiazole)-7-sulphonate)
| Molecular Formula | C48H32N8Na2O8S6 |
|---|---|
| Molecular Weight | 1086.05 g/mol |
| LogP | 1.357 |
| Topological Polar Surface Area | 247.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 1086.0463 |
| Heavy Atoms | 72 |
| Complexity | 4107.0864 |
Chemical Identifiers
| CAS Number | 5915-60-6 |
|---|---|
| SMILES | CC1=CCC2=NC(SC2=C1S(=O)(=O)[O-])(C3=CC=C(C=C3)N/N=C\4/C=CC(=O)/C(=N\NC5=CC=C(C=C5)C6(N=C7CC=C(C(=C7S6)S(=O)(=O)[O-])C)C8=CC9=C(C=C8)N=CS9)/C4=O)C1=CC2=C(C=C1)N=CS2.[Na+].[Na+] |
Product Overview
EINECS 227-640-5 (CAS 5915-60-6), with molecular formula C48H32N8Na2O8S6 and molecular weight 1086.05 g/mol. IUPAC: disodium;2-(1,3-benzothiazol-6-yl)-2-[4-[(2Z)-2-[(5E)-5-[[4-[2-(1,3-benzothiazol-6-yl)-6-methyl-7-sulfonato-4H-1,3-benzothiazol-2-yl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]phenyl]-6-methyl-4H-1,3-benzothiazole-7-sulfonate.
Chemical Property Profile of EINECS 227-640-5
Property Insights of EINECS 227-640-5
The XLogP value of 1.357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 227-640-5. The TPSA of 247.82 Ų indicates high polarity, suggesting EINECS 227-640-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 227-640-5 has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 227-640-5?
The CAS number of EINECS 227-640-5 is 5915-60-6.
What is the molecular formula of EINECS 227-640-5?
The molecular formula of EINECS 227-640-5 is C48H32N8Na2O8S6.
What is the molecular weight of EINECS 227-640-5?
The molecular weight of EINECS 227-640-5 is 1086.05 g/mol.
Where can I buy EINECS 227-640-5?
You can request a quote for EINECS 227-640-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 227-640-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 227-640-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.