3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate (CAS 70802-25-4) is a chemical compound with molecular formula C22H30N2O8 and molecular weight 450.20 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)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 7-Methyl-3-(3,4,5-trimethoxybenzoyl)bispidine fumarate, 7-Methyl-3-(3,4,5-trimethoxybenzoyl)-3,7-diazabicyclo(3.3.1)nonane fumarate, 3,7-DIAZABICYCLO(3.3.1)NONANE, 7-METHYL-3-(3,4,5-TRIMETHOXYBENZOYL)-, FUMARATE, (Z)-4-hydroxy-4-oxobut-2-enoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 3,7-Diazabicyclo[3.3.1]nonane, 3-methyl-7-(3,4,5-trimethoxybenzoyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C22H30N2O8 |
|---|---|
| Molecular Weight | 450.20 g/mol |
| LogP | -1.3039 |
| Topological Polar Surface Area | 129.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.20023 |
| Heavy Atoms | 32 |
| Complexity | 810.48193 |
Chemical Identifiers
| CAS Number | 70802-25-4 |
|---|---|
| SMILES | C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate (CAS 70802-25-4), with molecular formula C22H30N2O8 and molecular weight 450.20 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate
The XLogP value of -1.3039 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate has 2 hydrogen bond donor(s) and 7 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-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate is 70802-25-4.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate is C22H30N2O8.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate is 450.20 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, 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, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.