Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)
TL;DR: Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) (CAS 68015-96-3) is a chemical compound with molecular formula C18H19N3O7S and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carboxy-4-hydroxybenzenesulfonate;3-methoxy-4-pyrrolidin-1-ylbenzenediazonium
Also Known As: 3-Methoxy-4-pyrrolidinobenzenediazonium sulfosalicylate, Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, salt with 2-hydroxy-5-sulfobenzoic acid (1:1), Benzenediazonium, 3-methoxy-4-pyrrolidino-, sulfosalicylate, Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1), 3-carboxy-4-hydroxybenzenesulfonate; 3-methoxy-4-pyrrolidin-1-ylbenzenediazonium
| Molecular Formula | C18H19N3O7S |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 2.77 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.09436 |
| Heavy Atoms | 29 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 68015-96-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+]#N)N2CCCC2.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O |
| InChIKey | INKBPSJIJWAONM-UHFFFAOYSA-M |
Product Overview
Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) (CAS 68015-96-3), with molecular formula C18H19N3O7S and molecular weight 421.09 g/mol. IUPAC: 3-carboxy-4-hydroxybenzenesulfonate;3-methoxy-4-pyrrolidin-1-ylbenzenediazonium.
Chemical Property Profile of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)
Property Insights of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)
The XLogP value of 2.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1). The TPSA of 164.0 Ų indicates high polarity, suggesting Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) has 2 hydrogen bond donor(s) and 9 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, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)?
The CAS number of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) is 68015-96-3.
What is the molecular formula of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)?
The molecular formula of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) is C18H19N3O7S.
What is the molecular weight of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)?
The molecular weight of Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) is 421.09 g/mol.
Where can I buy Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)?
You can request a quote for Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenediazonium, 3-methoxy-4-(1-pyrrolidinyl)-, 2-hydroxy-5-sulfobenzoate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.