9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate
TL;DR: 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate (CAS 6606-07-1) is a chemical compound with molecular formula C24H28ClNO3 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
Also Known As: KSD 2393, 9-(2-Hydroxyethyl)-9-azabicyclo(3.3.1)nonane p-chlorobenzilate, 9-Azabicyclo(3.3.1)nonane, 9-(4'-chlorobenziloyloxyethyl)-, 9-AZABICYCLO(3.3.1)NONANE, 9-(2-HYDROXYETHYL)-, p-CHLOROBENZILATE, 2-(9-Azabicyclo[3.3.1]nonan-9-yl)ethyl2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
| Molecular Formula | C24H28ClNO3 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.17578 |
| Heavy Atoms | 29 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 6606-07-1 |
|---|---|
| SMILES | C1CC2CCCC(C1)N2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O |
| InChIKey | KFHGBFSJTGAPMS-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate (CAS 6606-07-1), with molecular formula C24H28ClNO3 and molecular weight 413.18 g/mol. IUPAC: 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate
Property Insights of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate
The XLogP value of 5.1 indicates that 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate?
The CAS number of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate is 6606-07-1.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate?
The molecular formula of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate is C24H28ClNO3.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate?
The molecular weight of 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate is 413.18 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate?
You can request a quote for 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.