CID 9576677
TL;DR: CID 9576677 (CAS 64653-30-1) is a chemical compound with molecular formula C25H17ClN8O9S2 and molecular weight 672.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-3-oxo-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((4-((4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-((4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
| Molecular Formula | C25H17ClN8O9S2 |
|---|---|
| Molecular Weight | 672.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 672.02484 |
| Heavy Atoms | 45 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 64653-30-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=C(NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O)S(=O)(=O)O |
| InChIKey | UWBIKHCOFHYXKP-UHFFFAOYSA-N |
Product Overview
CID 9576677 (CAS 64653-30-1), with molecular formula C25H17ClN8O9S2 and molecular weight 672.02 g/mol. IUPAC: 4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-3-oxo-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of CID 9576677
Property Insights of CID 9576677
The XLogP value of 3.2 indicates that CID 9576677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 271.0 Ų indicates high polarity, suggesting CID 9576677 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 9576677 has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 9576677?
The CAS number of CID 9576677 is 64653-30-1.
What is the molecular formula of CID 9576677?
The molecular formula of CID 9576677 is C25H17ClN8O9S2.
What is the molecular weight of CID 9576677?
The molecular weight of CID 9576677 is 672.02 g/mol.
Where can I buy CID 9576677?
You can request a quote for CID 9576677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 9576677?
Yes, KEHONG BIO provides custom synthesis services for CID 9576677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.