EC 412-320-1
TL;DR: EC 412-320-1 (CAS 31361-99-6) is a chemical compound with molecular formula C24H19N4NaO7S2 and molecular weight 562.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate
Also Known As: EC 412-320-1, Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-, monosodium salt, Benzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-, sodium salt (1:1), sodium 2-anilino-5-(2-nitro-4-(N-phenylsulfamoyl))anilinobenzenesulfonate, Benzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-, monosodium salt
| Molecular Formula | C24H19N4NaO7S2 |
|---|---|
| Molecular Weight | 562.06 g/mol |
| LogP | 1.7909 |
| Topological Polar Surface Area | 170.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.05927 |
| Heavy Atoms | 38 |
| Complexity | 1669.0255 |
Chemical Identifiers
| CAS Number | 31361-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+] |
Product Overview
EC 412-320-1 (CAS 31361-99-6), with molecular formula C24H19N4NaO7S2 and molecular weight 562.06 g/mol. IUPAC: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate.
Chemical Property Profile of EC 412-320-1
Property Insights of EC 412-320-1
The XLogP value of 1.7909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EC 412-320-1. The TPSA of 170.57 Ų indicates high polarity, suggesting EC 412-320-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EC 412-320-1 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EC 412-320-1?
The CAS number of EC 412-320-1 is 31361-99-6.
What is the molecular formula of EC 412-320-1?
The molecular formula of EC 412-320-1 is C24H19N4NaO7S2.
What is the molecular weight of EC 412-320-1?
The molecular weight of EC 412-320-1 is 562.06 g/mol.
Where can I buy EC 412-320-1?
You can request a quote for EC 412-320-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EC 412-320-1?
Yes, KEHONG BIO provides custom synthesis services for EC 412-320-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.