Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
TL;DR: Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) (CAS 65059-91-8) is a chemical compound with molecular formula C25H46ClNO2 and molecular weight 427.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dodecyl-bis(2-hydroxypropyl)azanium chloride
Also Known As: Benzyldodecylbis(2-hydroxypropyl)ammonium chloride, n-benzyl-n,n-bis(2-hydroxypropyl)dodecan-1-aminium chloride, Ammonium, benzylbis(2-hydroxypropyl)dodecyl-, chloride, Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride, benzyl-dodecyl-bis(2-hydroxypropyl)azanium chloride
| Molecular Formula | C25H46ClNO2 |
|---|---|
| Molecular Weight | 427.32 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 427.32172 |
| Heavy Atoms | 29 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 65059-91-8 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-] |
| InChIKey | DMKGBWJRTCHMCP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) (CAS 65059-91-8), with molecular formula C25H46ClNO2 and molecular weight 427.32 g/mol. IUPAC: benzyl-dodecyl-bis(2-hydroxypropyl)azanium chloride.
Chemical Property Profile of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
Property Insights of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1). With a topological polar surface area (TPSA) of 40.5 Ų, Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) has 2 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 Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)?
The CAS number of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) is 65059-91-8.
What is the molecular formula of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)?
The molecular formula of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) is C25H46ClNO2.
What is the molecular weight of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)?
The molecular weight of Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) is 427.32 g/mol.
Where can I buy Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)?
You can request a quote for Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxypropyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.