3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium
TL;DR: 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium (CAS 82914-58-7) is a chemical compound with molecular formula C6H15ClNO+ and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-trimethylazanium
Also Known As: XIUCEANTZSXBQQ-UHFFFAOYSA-, 3-chloro-2-hydroxypropyltrimethylammonium, (3-chloro-2-hydroxypropyl)-trimethylazanium, 2-Hydroxy-3-chloropropyltrimethylaminium, 1-Chloro-3-trimethylammonium-2-propanol
| Molecular Formula | C6H15ClNO+ |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.08421 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 82914-58-7 |
|---|---|
| SMILES | C[N+](C)(C)CC(CCl)O |
| InChIKey | XIUCEANTZSXBQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium (CAS 82914-58-7), with molecular formula C6H15ClNO+ and molecular weight 152.08 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-trimethylazanium.
Chemical Property Profile of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium
Property Insights of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium. With a topological polar surface area (TPSA) of 20.2 Ų, 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium has 1 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-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium?
The CAS number of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium is 82914-58-7.
What is the molecular formula of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium?
The molecular formula of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium is C6H15ClNO+.
What is the molecular weight of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium?
The molecular weight of 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium is 152.08 g/mol.
Where can I buy 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium?
You can request a quote for 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.