RefChem:513517
TL;DR: RefChem:513517 (CAS 25311-20-0) is a chemical compound with molecular formula C20H22N4O12S3 and molecular weight 606.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-(4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-[4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-(4-((2,5-Dimethoxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-[4-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid, Benzenesulfonic acid, 4-(4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
| Molecular Formula | C20H22N4O12S3 |
|---|---|
| Molecular Weight | 606.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 606.0396 |
| Heavy Atoms | 39 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 25311-20-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | DXCCMFSEQJYYIA-UHFFFAOYSA-N |
Product Overview
RefChem:513517 (CAS 25311-20-0), with molecular formula C20H22N4O12S3 and molecular weight 606.04 g/mol. IUPAC: 4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:513517
Property Insights of RefChem:513517
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:513517. The TPSA of 253.0 Ų indicates high polarity, suggesting RefChem:513517 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:513517 has 2 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:513517?
The CAS number of RefChem:513517 is 25311-20-0.
What is the molecular formula of RefChem:513517?
The molecular formula of RefChem:513517 is C20H22N4O12S3.
What is the molecular weight of RefChem:513517?
The molecular weight of RefChem:513517 is 606.04 g/mol.
Where can I buy RefChem:513517?
You can request a quote for RefChem:513517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513517?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.