RefChem:417817
TL;DR: RefChem:417817 (CAS 54518-41-1) is a chemical compound with molecular formula C25H20ClN3O13S4 and molecular weight 732.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid
Also Known As: 1,7-Naphthalenedisulfonic acid, 4-((3-((2-chloroethyl)sulfonyl)benzoyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)azo]-, 1,7-Naphthalenedisulfonic acid, 4-((3-((2-chloroethyl)sulfonyl)benzoyl)amino)-5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, 1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, 4-((3-((2-Chloroethyl)sulphonyl)benzoyl)amino)-5-hydroxy-6-((2-sulphophenyl)azo)naphthalene-1,7-disulphonic acid
| Molecular Formula | C25H20ClN3O13S4 |
|---|---|
| Molecular Weight | 732.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 732.9567 |
| Heavy Atoms | 46 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 54518-41-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=NC2=C(C3=C(C=CC(=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)S(=O)(=O)CCCl)O)S(=O)(=O)O |
| InChIKey | HAYRGMPWYJSHBP-UHFFFAOYSA-N |
Product Overview
RefChem:417817 (CAS 54518-41-1), with molecular formula C25H20ClN3O13S4 and molecular weight 732.96 g/mol. IUPAC: 4-[[3-(2-chloroethylsulfonyl)benzoyl]amino]-5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid.
Chemical Property Profile of RefChem:417817
Property Insights of RefChem:417817
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:417817. The TPSA of 305.0 Ų indicates high polarity, suggesting RefChem:417817 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417817 has 5 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:417817?
The CAS number of RefChem:417817 is 54518-41-1.
What is the molecular formula of RefChem:417817?
The molecular formula of RefChem:417817 is C25H20ClN3O13S4.
What is the molecular weight of RefChem:417817?
The molecular weight of RefChem:417817 is 732.96 g/mol.
Where can I buy RefChem:417817?
You can request a quote for RefChem:417817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.