C.I. Direct Red 173
TL;DR: C.I. Direct Red 173 (CAS 6410-47-5) is a chemical compound with molecular formula C41H28N12Na2O15S2 and molecular weight 1038.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-hydroxy-4-[[4-[4-[[4-[1-[(2-hydroxy-6-nitro-4-sulfonatonaphthalen-1-yl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]phenyl]carbamoylamino]phenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]diazenyl]-7-nitronaphthalene-1-sulfonate
Also Known As: C.I. Direct Red 173, 1-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitro-, disodium salt, Disodium 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitronaphthalene-1-sulphonate), 1-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)-2,1-diazenediyl))bis(3-hydroxy-7-nitro-, sodium salt (1:2), 1-Naphthalenesulfonic acid, 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[3-hydroxy-7-nitro-, disodium salt
| Molecular Formula | C41H28N12Na2O15S2 |
|---|---|
| Molecular Weight | 1038.10 g/mol |
| LogP | 0.682 |
| Topological Polar Surface Area | 419.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 8 |
| Exact Mass | 1038.1034 |
| Heavy Atoms | 72 |
| Complexity | 2200.0 |
Chemical Identifiers
| CAS Number | 6410-47-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4C(=NN(C4=O)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)[O-])[N+](=O)[O-])C)N=NC7=C8C=CC(=CC8=C(C=C7O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+] |
| InChIKey | NSYCKHSPBPJZSU-UHFFFAOYSA-L |
Product Overview
C.I. Direct Red 173 (CAS 6410-47-5), with molecular formula C41H28N12Na2O15S2 and molecular weight 1038.10 g/mol. IUPAC: disodium;3-hydroxy-4-[[4-[4-[[4-[1-[(2-hydroxy-6-nitro-4-sulfonatonaphthalen-1-yl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]phenyl]carbamoylamino]phenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]diazenyl]-7-nitronaphthalene-1-sulfonate.
Chemical Property Profile of C.I. Direct Red 173
Property Insights of C.I. Direct Red 173
The XLogP value of 0.682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Red 173. The TPSA of 419.0 Ų indicates high polarity, suggesting C.I. Direct Red 173 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Red 173 has 4 hydrogen bond donor(s) and 21 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. Direct Red 173?
The CAS number of C.I. Direct Red 173 is 6410-47-5.
What is the molecular formula of C.I. Direct Red 173?
The molecular formula of C.I. Direct Red 173 is C41H28N12Na2O15S2.
What is the molecular weight of C.I. Direct Red 173?
The molecular weight of C.I. Direct Red 173 is 1038.10 g/mol.
Where can I buy C.I. Direct Red 173?
You can request a quote for C.I. Direct Red 173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Red 173?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Red 173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.