RefChem:299357
TL;DR: RefChem:299357 (CAS 42986-15-2) is a chemical compound with molecular formula C21H18N4O8S2 and molecular weight 518.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(methylamino)phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
Also Known As: 5-[[4- phenyl]azo]-2-[2- vinyl]benzenesulphonicacid, Benzenesulfonic acid, 5-[[4-(methylamino)phenyl]azo]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-, 5-[[4-(METHYLAMINO)PHENYL]AZO]-2-[2-(4-NITRO-2-SULPHOPHENYL)VINYL]BENZENESULPHONIC ACID, 5-(2-(4-(Methylamino)phenyl)diazenyl)-2-(2-(4-nitro-2-sulfophenyl)ethenyl)benzenesulfonic acid, 5-[2-[4-(Methylamino)phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
| Molecular Formula | C21H18N4O8S2 |
|---|---|
| Molecular Weight | 518.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.0566 |
| Heavy Atoms | 35 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 42986-15-2 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | TVQLAFZNHARCJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:299357 (CAS 42986-15-2), with molecular formula C21H18N4O8S2 and molecular weight 518.06 g/mol. IUPAC: 5-[[4-(methylamino)phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:299357
Property Insights of RefChem:299357
The XLogP value of 3.3 indicates that RefChem:299357 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting RefChem:299357 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299357 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:299357?
The CAS number of RefChem:299357 is 42986-15-2.
What is the molecular formula of RefChem:299357?
The molecular formula of RefChem:299357 is C21H18N4O8S2.
What is the molecular weight of RefChem:299357?
The molecular weight of RefChem:299357 is 518.06 g/mol.
Where can I buy RefChem:299357?
You can request a quote for RefChem:299357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299357?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.