RefChem:73099
TL;DR: RefChem:73099 (CAS 72139-22-1) is a chemical compound with molecular formula C20H12ClF2N7Na2O7S2 and molecular weight 644.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonate
Also Known As: 1,4-Benzenedisulfonic acid, 2-(4-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt, 1,4-Benzenedisulfonic acid, 2-(4-(2-(4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2), 1,4-Benzenedisulfonic acid, 2-[4-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt, 1,4-Benzenedisulfonic acid, 2-[4-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2), 1,4-Benzenedisulfonicacid,2-[4-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,sodium salt (1:2)
| Molecular Formula | C20H12ClF2N7Na2O7S2 |
|---|---|
| Molecular Weight | 644.97 g/mol |
| LogP | -3.157 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 644.9692 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 72139-22-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)NC3=C(C(=NC(=N3)F)F)Cl)C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | NGHBKVPQCGDWEU-UHFFFAOYSA-L |
Product Overview
RefChem:73099 (CAS 72139-22-1), with molecular formula C20H12ClF2N7Na2O7S2 and molecular weight 644.97 g/mol. IUPAC: disodium;2-[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:73099
Property Insights of RefChem:73099
The XLogP value of -3.157 indicates that RefChem:73099 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:73099 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:73099 has 1 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:73099?
The CAS number of RefChem:73099 is 72139-22-1.
What is the molecular formula of RefChem:73099?
The molecular formula of RefChem:73099 is C20H12ClF2N7Na2O7S2.
What is the molecular weight of RefChem:73099?
The molecular weight of RefChem:73099 is 644.97 g/mol.
Where can I buy RefChem:73099?
You can request a quote for RefChem:73099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:73099?
Yes, KEHONG BIO provides custom synthesis services for RefChem:73099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.