RefChem:117423
TL;DR: RefChem:117423 (CAS 83749-57-9) is a chemical compound with molecular formula C22H25N3O10S and molecular weight 523.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dicarboxybenzenesulfonate;2,5-diethoxy-4-morpholin-4-ylbenzenediazonium
Also Known As: Benzenediazonium, 2,5-diethoxy-4-(4-morpholinyl)-, salt with 5-sulfo-1,3-benzenedicarboxylic acid (1:1), Benzenediazonium, 2,5-diethoxy-4-(4-morpholinyl)-, 5-sulfo-1,3-benzenedicarboxylate (1:1), 2,5-Diethoxy-4-(morpholin-4-yl)benzene-1-diazonium 3,5-dicarboxybenzene-1-sulfonate, 3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-morpholin-4-yl-benzenediazonium, 3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-morpholin-4-ylbenzenediazonium
| Molecular Formula | C22H25N3O10S |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 2.79228 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.12604 |
| Heavy Atoms | 36 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 83749-57-9 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1[N+]#N)OCC)N2CCOCC2.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O |
| InChIKey | RYZUQTIMJZVXNG-UHFFFAOYSA-M |
Product Overview
RefChem:117423 (CAS 83749-57-9), with molecular formula C22H25N3O10S and molecular weight 523.13 g/mol. IUPAC: 3,5-dicarboxybenzenesulfonate;2,5-diethoxy-4-morpholin-4-ylbenzenediazonium.
Chemical Property Profile of RefChem:117423
Property Insights of RefChem:117423
The XLogP value of 2.79228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117423. The TPSA of 199.0 Ų indicates high polarity, suggesting RefChem:117423 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117423 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117423?
The CAS number of RefChem:117423 is 83749-57-9.
What is the molecular formula of RefChem:117423?
The molecular formula of RefChem:117423 is C22H25N3O10S.
What is the molecular weight of RefChem:117423?
The molecular weight of RefChem:117423 is 523.13 g/mol.
Where can I buy RefChem:117423?
You can request a quote for RefChem:117423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117423?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.