RefChem:592145
TL;DR: RefChem:592145 (CAS 68399-91-7) is a chemical compound with molecular formula C18H23N3O10S3 and molecular weight 537.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-[ethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
Also Known As: Ethanol, 2-[[4-[[4-[ethyl[2-(sulfooxy)ethyl]amino]phenyl]azo]phenyl]sulfonyl]-, hydrogen sulfate (ester), Ethanol, 2-((4-((4-(ethyl(2-(sulfooxy)ethyl)amino)phenyl)azo)phenyl)sulfonyl)-, hydrogen sulfate (ester), Ethanol, 2-((4-(2-(4-(ethyl(2-(sulfooxy)ethyl)amino)phenyl)diazenyl)phenyl)sulfonyl)-, 1-(hydrogen sulfate), 2-({4-[(e)-(4-{ethyl[2-(sulfooxy)ethyl]amino}phenyl)diazenyl]phenyl}sulfonyl)ethyl hydrogen sulfate, 1-(ethyl-(2-sulfooxyethyl)amino)-4-[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl-benzene
| Molecular Formula | C18H23N3O10S3 |
|---|---|
| Molecular Weight | 537.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 537.05457 |
| Heavy Atoms | 34 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 68399-91-7 |
|---|---|
| SMILES | CCN(CCOS(=O)(=O)O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | NNAHWLLKHBOWPL-UHFFFAOYSA-N |
Product Overview
RefChem:592145 (CAS 68399-91-7), with molecular formula C18H23N3O10S3 and molecular weight 537.05 g/mol. IUPAC: 2-[4-[[4-[ethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate.
Chemical Property Profile of RefChem:592145
Property Insights of RefChem:592145
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:592145. The TPSA of 214.0 Ų indicates high polarity, suggesting RefChem:592145 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:592145 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:592145?
The CAS number of RefChem:592145 is 68399-91-7.
What is the molecular formula of RefChem:592145?
The molecular formula of RefChem:592145 is C18H23N3O10S3.
What is the molecular weight of RefChem:592145?
The molecular weight of RefChem:592145 is 537.05 g/mol.
Where can I buy RefChem:592145?
You can request a quote for RefChem:592145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:592145?
Yes, KEHONG BIO provides custom synthesis services for RefChem:592145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.