RefChem:446051
TL;DR: RefChem:446051 (CAS 56317-51-2) is a chemical compound with molecular formula C18H17N3O12S4 and molecular weight 594.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: 2,7-Naphthalenedisulfonic acid, 3-amino-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 2,7-Naphthalenedisulfonic acid, 3-amino-4-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, 2,7-Naphthalenedisulfonic acid, 3-amino-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, 3-Amino-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid, 3-amino-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
| Molecular Formula | C18H17N3O12S4 |
|---|---|
| Molecular Weight | 594.97 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.9695 |
| Heavy Atoms | 37 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 56317-51-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | JWBAKTMKKFYQDB-UHFFFAOYSA-N |
Product Overview
RefChem:446051 (CAS 56317-51-2), with molecular formula C18H17N3O12S4 and molecular weight 594.97 g/mol. IUPAC: 3-amino-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:446051
Property Insights of RefChem:446051
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:446051. The TPSA of 291.0 Ų indicates high polarity, suggesting RefChem:446051 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446051 has 4 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:446051?
The CAS number of RefChem:446051 is 56317-51-2.
What is the molecular formula of RefChem:446051?
The molecular formula of RefChem:446051 is C18H17N3O12S4.
What is the molecular weight of RefChem:446051?
The molecular weight of RefChem:446051 is 594.97 g/mol.
Where can I buy RefChem:446051?
You can request a quote for RefChem:446051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.