RefChem:564503
TL;DR: RefChem:564503 (CAS 56670-26-9) is a chemical compound with molecular formula C33H27N9O9S2 and molecular weight 757.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: 2-nitro-4-dimethylaminobenzaldehyde, Benzenesulfonic acid, 4-(4-((4-((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-(4-(2-(4-((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, 4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, Benzenesulfonic acid, 4-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
| Molecular Formula | C33H27N9O9S2 |
|---|---|
| Molecular Weight | 757.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 269.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 757.1373 |
| Heavy Atoms | 53 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 56670-26-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C6=CC=C(C=C6)S(=O)(=O)O |
| InChIKey | DHTZJXQLSJCXGW-UHFFFAOYSA-N |
Product Overview
RefChem:564503 (CAS 56670-26-9), with molecular formula C33H27N9O9S2 and molecular weight 757.14 g/mol. IUPAC: 4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:564503
Property Insights of RefChem:564503
The XLogP value of 3.0 indicates that RefChem:564503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 269.0 Ų indicates high polarity, suggesting RefChem:564503 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564503 has 3 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:564503?
The CAS number of RefChem:564503 is 56670-26-9.
What is the molecular formula of RefChem:564503?
The molecular formula of RefChem:564503 is C33H27N9O9S2.
What is the molecular weight of RefChem:564503?
The molecular weight of RefChem:564503 is 757.14 g/mol.
Where can I buy RefChem:564503?
You can request a quote for RefChem:564503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564503?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.