3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate (CAS 70802-39-0) is a chemical compound with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;(4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone
Also Known As: 3-(p-Methoxybenzoyl)-7-methylbispidine fumarate, 3-(p-Methoxybenzoyl)-7-methyl-3,7-diazabicyclo(3.3.1)nonane fumarate, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3-(p-METHOXYBENZOYL)-7-METHYL-, FUMARATE, 3,7-Diazabicyclo[3.3.1]nonane, 3-(4-methoxybenzoyl)-7-methyl-, (E)-2-butenedioate (1:1), (Z)-4-hydroxy-4-oxobut-2-enoate; (4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone
| Molecular Formula | C20H26N2O6 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | -1.3211 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.17908 |
| Heavy Atoms | 28 |
| Complexity | 696.7164 |
Chemical Identifiers
| CAS Number | 70802-39-0 |
|---|---|
| SMILES | C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate (CAS 70802-39-0), with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;(4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate
The XLogP value of -1.3211 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate has 2 hydrogen bond donor(s) and 5 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 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate is 70802-39-0.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate is C20H26N2O6.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate is 390.18 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.