3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide
TL;DR: 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide (CAS 98780-67-7) is a chemical compound with molecular formula C17H25ClIN and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-3,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane iodide
Also Known As: 3-(o-Chlorobenzyl)-3,5,8,8-tetramethyl-3-azoniabicyclo(3.2.1)octane iodide, 3-AZONIABICYCLO(3.2.1)OCTANE, 3-(o-CHLOROBENZYL)-3,3,8,8-TETRAMETHYL-, IODIDE, 3-[(2-Chlorophenyl)methyl]-3,8,8-trimethyl-3-azoniabicyclo[3.2.1]octaneiodide, 3-[(2-Chlorophenyl)methyl]-3,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-ium iodide, 3-[(2-chlorophenyl)methyl]-3,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane iodide
| Molecular Formula | C17H25ClIN |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.07202 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 98780-67-7 |
|---|---|
| SMILES | CC1(C2CCC1C[N+](C2)(C)CC3=CC=CC=C3Cl)C.[I-] |
| InChIKey | GVNSHRPQUIPREW-UHFFFAOYSA-M |
Product Overview
3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide (CAS 98780-67-7), with molecular formula C17H25ClIN and molecular weight 405.07 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-3,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane iodide.
Chemical Property Profile of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide
Property Insights of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide has 0 hydrogen bond donor(s) and 1 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-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide?
The CAS number of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide is 98780-67-7.
What is the molecular formula of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide?
The molecular formula of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide is C17H25ClIN.
What is the molecular weight of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide?
The molecular weight of 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide is 405.07 g/mol.
Where can I buy 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide?
You can request a quote for 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.