1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane
TL;DR: 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane (CAS 18278-96-1) is a chemical compound with molecular formula C9H16ClN4+ and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Also Known As: DODECANEDIOIC ACID, DIHYDRAZIDE, 1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane, 1-(3-chloroallyl)-3, 5, 7-triaza-1-azoniaadamantane, 1-(3-Chloroprop-2-en-1-yl)-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium
| Molecular Formula | C9H16ClN4+ |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10635 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 18278-96-1 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC=CCl |
| InChIKey | LDLCEGCJYSDJLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane (CAS 18278-96-1), with molecular formula C9H16ClN4+ and molecular weight 215.11 g/mol. IUPAC: 1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane
Property Insights of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane. With a topological polar surface area (TPSA) of 9.7 Ų, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane has 0 hydrogen bond donor(s) and 3 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 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane?
The CAS number of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane is 18278-96-1.
What is the molecular formula of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane?
The molecular formula of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane is C9H16ClN4+.
What is the molecular weight of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane?
The molecular weight of 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane is 215.11 g/mol.
Where can I buy 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane?
You can request a quote for 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.