![(3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate structure](/static/products/8919/89194-77-4.webp)
(3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate
TL;DR: (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate (CAS 89194-77-4) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate
Also Known As: Bisaramil, Yutac, (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate, BENZOIC ACID, 4-CHLORO-, 3-ETHYL-7-METHYL-3,7-DIAZABICYCLO(3.3.1)NON-9-YL ESTER,
| Molecular Formula | C17H23ClN2O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1448 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 89194-77-4 |
|---|---|
| SMILES | CCN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C |
| InChIKey | PMCPYLGCPSNSLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate (CAS 89194-77-4), with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol. IUPAC: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate.
Chemical Property Profile of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate
Property Insights of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate
The XLogP value of 3.0 indicates that (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate has 0 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-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate?
The CAS number of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate is 89194-77-4.
What is the molecular formula of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate?
The molecular formula of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate is C17H23ClN2O2.
What is the molecular weight of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate?
The molecular weight of (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate is 322.14 g/mol.
Where can I buy (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate?
You can request a quote for (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.