RefChem:438990
TL;DR: RefChem:438990 (CAS 68399-87-1) is a chemical compound with molecular formula C22H15Cl2N7O10S2 and molecular weight 670.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
Also Known As: 1-(5-{[(3,6-dichloropyridazin-4-yl)carbonyl]amino}-2-methyl-3-sulfophenyl)-5-oxo-4-[(e)-(2-sulfophenyl)diazenyl]-4,5-dihydro-1h-pyrazole-3-carboxylicacid, 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-, 1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-(2-(2-sulfophenyl)diazenyl)-, 1H-Pyrazole-3-carboxylic acid, 1-[5-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[(2-sulfophenyl)azo]-
| Molecular Formula | C22H15Cl2N7O10S2 |
|---|---|
| Molecular Weight | 670.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 670.9699 |
| Heavy Atoms | 43 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 68399-87-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1S(=O)(=O)O)NC(=O)C2=CC(=NN=C2Cl)Cl)N3C(=O)C(C(=N3)C(=O)O)N=NC4=CC=CC=C4S(=O)(=O)O |
| InChIKey | ZRDUNOGZJOMOGI-UHFFFAOYSA-N |
Product Overview
RefChem:438990 (CAS 68399-87-1), with molecular formula C22H15Cl2N7O10S2 and molecular weight 670.97 g/mol. IUPAC: 1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of RefChem:438990
Property Insights of RefChem:438990
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:438990. The TPSA of 275.0 Ų indicates high polarity, suggesting RefChem:438990 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:438990 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:438990?
The CAS number of RefChem:438990 is 68399-87-1.
What is the molecular formula of RefChem:438990?
The molecular formula of RefChem:438990 is C22H15Cl2N7O10S2.
What is the molecular weight of RefChem:438990?
The molecular weight of RefChem:438990 is 670.97 g/mol.
Where can I buy RefChem:438990?
You can request a quote for RefChem:438990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438990?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.