RefChem:117643
TL;DR: RefChem:117643 (CAS 70693-72-0) is a chemical compound with molecular formula C30H55ClN2O2 and molecular weight 510.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-(9-hydroxyoctadecanoylamino)propyl]-dimethylazanium chloride
Also Known As: Benzenemethanaminium, N-(3-((hydroxy-1-oxooctadecyl)amino)propyl)-N,N-dimethyl-, chloride, n-benzyl-3-[(9-hydroxyoctadecanoyl)amino]-n,n-dimethylpropan-1-aminium chloride, Benzenemethanaminium, N-(3-((hydroxy-1-oxooctadecyl)amino)propyl)-N,N-dimethyl-, chloride (1:1), benzyl-[3-(9-hydroxyoctadecanoylamino)propyl]-dimethylazanium chloride, Benzenemethanaminium, N-[3-[(hydroxy-1-oxooctadecyl)amino]propyl]-N,N-dimethyl-, chloride
| Molecular Formula | C30H55ClN2O2 |
|---|---|
| Molecular Weight | 510.40 g/mol |
| LogP | 4.01 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 510.3952 |
| Heavy Atoms | 35 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 70693-72-0 |
|---|---|
| SMILES | CCCCCCCCCC(CCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O.[Cl-] |
| InChIKey | CAKRIPSYNWPZCT-UHFFFAOYSA-N |
Product Overview
RefChem:117643 (CAS 70693-72-0), with molecular formula C30H55ClN2O2 and molecular weight 510.40 g/mol. IUPAC: benzyl-[3-(9-hydroxyoctadecanoylamino)propyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:117643
Property Insights of RefChem:117643
The XLogP value of 4.01 indicates that RefChem:117643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, RefChem:117643 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117643 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117643?
The CAS number of RefChem:117643 is 70693-72-0.
What is the molecular formula of RefChem:117643?
The molecular formula of RefChem:117643 is C30H55ClN2O2.
What is the molecular weight of RefChem:117643?
The molecular weight of RefChem:117643 is 510.40 g/mol.
Where can I buy RefChem:117643?
You can request a quote for RefChem:117643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117643?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.