3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) (CAS 70802-30-1) is a chemical compound with molecular formula C23H32N2O6 and molecular weight 432.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 7-Butyl-3-(p-methoxybenzoyl)bispidine fumarate(4:5), C19H28N2O2.5/4C4H4O4, C19-H28-N2-O2.5/4C4-H4-O4, 7-Butyl-3-(p-methoxybenzoyl)-3,7-diazabicyclo(3.3.1)nonane fumarate(4:5), 3,7-DIAZABICYCLO(3.3.1)NONANE, 7-BUTYL-3-(p-METHOXYBENZOYL)-, FUMARATE (4:5)
| Molecular Formula | C23H32N2O6 |
|---|---|
| Molecular Weight | 432.23 g/mol |
| LogP | -0.1508 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.22604 |
| Heavy Atoms | 31 |
| Complexity | 746.7763 |
Chemical Identifiers
| CAS Number | 70802-30-1 |
|---|---|
| SMILES | CCCC[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, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) (CAS 70802-30-1), with molecular formula C23H32N2O6 and molecular weight 432.23 g/mol. IUPAC: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)
The XLogP value of -0.1508 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) 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, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5). Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) 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, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) is 70802-30-1.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) is C23H32N2O6.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) is 432.23 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) 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, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.