3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate (CAS 70802-37-8) is a chemical compound with molecular formula C19H24N2O5 and molecular weight 360.17 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;(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
Also Known As: 3-Benzoyl-7-methylbispidine fumarate, 3-Benzoyl-7-methyl-3,7-diazabicyclo(3.3.1)nonane fumarate, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZOYL-7-METHYL-, FUMARATE, 3,7-Diazabicyclo[3.3.1]nonane, 3-benzoyl-7-methyl-, (E)-2-butenedioate (1:1), (Z)-4-hydroxy-4-oxobut-2-enoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
| Molecular Formula | C19H24N2O5 |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | -1.3297 |
| Topological Polar Surface Area | 102.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.16852 |
| Heavy Atoms | 26 |
| Complexity | 639.76685 |
Chemical Identifiers
| CAS Number | 70802-37-8 |
|---|---|
| SMILES | C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate (CAS 70802-37-8), with molecular formula C19H24N2O5 and molecular weight 360.17 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate
The XLogP value of -1.3297 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate has 2 hydrogen bond donor(s) and 4 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-benzoyl-7-methyl-, fumarate?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate is 70802-37-8.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate is C19H24N2O5.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate is 360.17 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-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-benzoyl-7-methyl-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-methyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.