![Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride structure](/static/products/6840/68400-58-8.webp)
Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride
TL;DR: Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride (CAS 68400-58-8) is a chemical compound with molecular formula C30H53ClN2O and molecular weight 492.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride
Also Known As: Benzyl(3-oleamidopropyl)dimethylammonium chloride, Benzenemethanaminium, N,N-dimethyl-N-(3-(((9Z)-1-oxo-9-octadecenyl)amino)propyl)-, chloride, BENZYLDIMETHYL[3-[(1-OXOOLEYL)AMINO]PROPYL]AMMONIUM CHLORIDE, Benzenemethanaminium, N,N-dimethyl-N-(3-(((9Z)-1-oxo-9-octadecen-1-yl)amino)propyl)-, chloride (1:1), Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxo-9-octadecenyl)amino]propyl]-, chloride, (Z)-
| Molecular Formula | C30H53ClN2O |
|---|---|
| Molecular Weight | 492.38 g/mol |
| LogP | 4.81 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 492.38464 |
| Heavy Atoms | 34 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 68400-58-8 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | WFGZPNYNBFKOOW-UHFFFAOYSA-N |
Product Overview
Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride (CAS 68400-58-8), with molecular formula C30H53ClN2O and molecular weight 492.38 g/mol. IUPAC: benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride.
Chemical Property Profile of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride
Property Insights of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride
The XLogP value of 4.81 indicates that Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride has 1 hydrogen bond donor(s) and 2 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 Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride?
The CAS number of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride is 68400-58-8.
What is the molecular formula of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride?
The molecular formula of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride is C30H53ClN2O.
What is the molecular weight of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride?
The molecular weight of Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride is 492.38 g/mol.
Where can I buy Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride?
You can request a quote for Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.