RefChem:564394
TL;DR: RefChem:564394 (CAS 16893-48-4) is a chemical compound with molecular formula C25H18Cl3N9O10S3 and molecular weight 804.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-4-[4-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: C.I. Reactive Yellow 2, 2,5-dichloro-4-[4-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, Benzenesulfonic acid, 4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, Benzenesulfonic acid, 4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, 2,5-dichloro-4-(4-{(e)-[5-({4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C25H18Cl3N9O10S3 |
|---|---|
| Molecular Weight | 804.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 308.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 804.9404 |
| Heavy Atoms | 50 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 16893-48-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)O)Cl)S(=O)(=O)O)C5=CC(=C(C=C5Cl)S(=O)(=O)O)Cl |
| InChIKey | SDNMRBNQFIJFSV-UHFFFAOYSA-N |
Product Overview
RefChem:564394 (CAS 16893-48-4), with molecular formula C25H18Cl3N9O10S3 and molecular weight 804.94 g/mol. IUPAC: 2,5-dichloro-4-[4-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:564394
Property Insights of RefChem:564394
The XLogP value of 3.6 indicates that RefChem:564394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 308.0 Ų indicates high polarity, suggesting RefChem:564394 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564394 has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564394?
The CAS number of RefChem:564394 is 16893-48-4.
What is the molecular formula of RefChem:564394?
The molecular formula of RefChem:564394 is C25H18Cl3N9O10S3.
What is the molecular weight of RefChem:564394?
The molecular weight of RefChem:564394 is 804.94 g/mol.
Where can I buy RefChem:564394?
You can request a quote for RefChem:564394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564394?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.