EINECS 263-466-6
TL;DR: EINECS 263-466-6 (CAS 62223-58-9) is a chemical compound with molecular formula C26H18ClN9O14S3 and molecular weight 810.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: EINECS 263-466-6, 4-((5-((4-((2-Carboxy-4-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid, 4-[[5-[[4-[(2-CARBOXY-4-SULFOPHENYL)AMINO]-6-CHLORO-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULFOPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-[[5-[[4-[(2-carboxy-4-sulphophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C26H18ClN9O14S3 |
|---|---|
| Molecular Weight | 810.98 g/mol |
| LogP | 2.3902 |
| Topological Polar Surface Area | 357.83 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 810.98236 |
| Heavy Atoms | 53 |
| Complexity | 2604.854 |
Chemical Identifiers
| CAS Number | 62223-58-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)Cl)NC5=C(C=C(C=C5)S(=O)(=O)O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
EINECS 263-466-6 (CAS 62223-58-9), with molecular formula C26H18ClN9O14S3 and molecular weight 810.98 g/mol. IUPAC: 4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of EINECS 263-466-6
Property Insights of EINECS 263-466-6
The XLogP value of 2.3902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 263-466-6. The TPSA of 357.83 Ų indicates high polarity, suggesting EINECS 263-466-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 263-466-6 has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 263-466-6?
The CAS number of EINECS 263-466-6 is 62223-58-9.
What is the molecular formula of EINECS 263-466-6?
The molecular formula of EINECS 263-466-6 is C26H18ClN9O14S3.
What is the molecular weight of EINECS 263-466-6?
The molecular weight of EINECS 263-466-6 is 810.98 g/mol.
Where can I buy EINECS 263-466-6?
You can request a quote for EINECS 263-466-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 263-466-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 263-466-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.