3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate (CAS 71004-34-7) is a chemical compound with molecular formula C19H23ClN2O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 3-(p-Chlorobenzoyl)-7-methylbispidine fumarate, N-(p-Chlorobenzoyl)-N'-methylbispidine fumarate, 3-(p-Chlorobenzoyl)-7-methyl-3,7-diazabicyclo(3.3.1)nonane fumarate, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3-(p-CHLOROBENZOYL)-7-METHYL-, FUMARATE, 3-(4-Chlorobenzoyl)-7-methyl-3,7-diazabicyclo(3.3.1)nonane (E)-2-butenedioate (1:1)
| Molecular Formula | C19H23ClN2O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | -0.6763 |
| Topological Polar Surface Area | 102.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.12955 |
| Heavy Atoms | 27 |
| Complexity | 685.3151 |
Chemical Identifiers
| CAS Number | 71004-34-7 |
|---|---|
| SMILES | C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate (CAS 71004-34-7), with molecular formula C19H23ClN2O5 and molecular weight 394.13 g/mol. IUPAC: (4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate
The XLogP value of -0.6763 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-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-(p-chlorobenzoyl)-7-methyl-, fumarate. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-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-(p-chlorobenzoyl)-7-methyl-, fumarate?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate is 71004-34-7.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate is C19H23ClN2O5.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate is 394.13 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-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-chlorobenzoyl)-7-methyl-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-chlorobenzoyl)-7-methyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.