Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)
TL;DR: Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) (CAS 63468-98-4) is a chemical compound with molecular formula C18H18N4O8S and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-ethoxycarbonylbenzenediazonium);sulfate
Also Known As: C9H9N2O2.1/2O4S, Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1), 4-ethoxycarbonylbenzenediazonium sulfate, C9-H9-N2-O2.1/2O4-S, p-Aminobenzoic acid diazonium sulfate, ethyl ester
| Molecular Formula | C18H18N4O8S |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.08453 |
| Heavy Atoms | 31 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 63468-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)[N+]#N.CCOC(=O)C1=CC=C(C=C1)[N+]#N.[O-]S(=O)(=O)[O-] |
| InChIKey | LSBDKNBWPTVSIS-UHFFFAOYSA-L |
Product Overview
Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) (CAS 63468-98-4), with molecular formula C18H18N4O8S and molecular weight 450.08 g/mol. IUPAC: bis(4-ethoxycarbonylbenzenediazonium);sulfate.
Chemical Property Profile of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)
Property Insights of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)
The XLogP value of 3.36 indicates that Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)?
The CAS number of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) is 63468-98-4.
What is the molecular formula of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)?
The molecular formula of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) is C18H18N4O8S.
What is the molecular weight of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)?
The molecular weight of Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) is 450.08 g/mol.
Where can I buy Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)?
You can request a quote for Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenediazonium, 4-(ethoxycarbonyl)-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.