C.I. Acid Yellow 218
TL;DR: C.I. Acid Yellow 218 (CAS 61814-57-1) is a chemical compound with molecular formula C29H35Cl2N5Na2O9S2 and molecular weight 777.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2,5-dichloro-4-[4-[[5-(dodecoxycarbonylamino)-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: C.I. Acid Yellow 218, Acid Yellow 218, EINECS 276-127-2, Benzenesulfonic acid,2,5-dichloro-4-[4-[2-[5-[[(dodecyloxy)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,sodium salt (1:2), 612-463-1
| Molecular Formula | C29H35Cl2N5Na2O9S2 |
|---|---|
| Molecular Weight | 777.10 g/mol |
| LogP | 1.154 |
| Topological Polar Surface Area | 210.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 777.10486 |
| Heavy Atoms | 49 |
| Complexity | 1747.2932 |
Chemical Identifiers
| CAS Number | 61814-57-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)NC1=CC(=C(C=C1)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)C.[Na+].[Na+] |
Product Overview
C.I. Acid Yellow 218 (CAS 61814-57-1), with molecular formula C29H35Cl2N5Na2O9S2 and molecular weight 777.10 g/mol. IUPAC: disodium;2,5-dichloro-4-[4-[[5-(dodecoxycarbonylamino)-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of C.I. Acid Yellow 218
Property Insights of C.I. Acid Yellow 218
The XLogP value of 1.154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Acid Yellow 218. The TPSA of 210.12 Ų indicates high polarity, suggesting C.I. Acid Yellow 218 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Yellow 218 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Acid Yellow 218?
The CAS number of C.I. Acid Yellow 218 is 61814-57-1.
What is the molecular formula of C.I. Acid Yellow 218?
The molecular formula of C.I. Acid Yellow 218 is C29H35Cl2N5Na2O9S2.
What is the molecular weight of C.I. Acid Yellow 218?
The molecular weight of C.I. Acid Yellow 218 is 777.10 g/mol.
Where can I buy C.I. Acid Yellow 218?
You can request a quote for C.I. Acid Yellow 218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Acid Yellow 218?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Yellow 218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.