RefChem:77103
TL;DR: RefChem:77103 (CAS 68444-16-6) is a chemical compound with molecular formula C21H46ClNO3 and molecular weight 395.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxyethyl)-methyl-(3-tridecoxypropyl)azanium chloride
Also Known As: (3-Tridecyloxypropyl)bis(2-hydroxyethyl)methylammonium chloride, Bis(2-hydroxyethyl)methyl-3-(tridecyloxy)propylammonium chloride, 1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride (1:1), bis(2-hydroxyethyl)-methyl-(3-tridecoxypropyl)azanium chloride, 1-Propanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-3-(tridecyloxy)-, chloride
| Molecular Formula | C21H46ClNO3 |
|---|---|
| Molecular Weight | 395.32 g/mol |
| LogP | 1.14 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 395.31662 |
| Heavy Atoms | 26 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 68444-16-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCOCCC[N+](C)(CCO)CCO.[Cl-] |
| InChIKey | OCEJZQODVBRYFB-UHFFFAOYSA-M |
Product Overview
RefChem:77103 (CAS 68444-16-6), with molecular formula C21H46ClNO3 and molecular weight 395.32 g/mol. IUPAC: bis(2-hydroxyethyl)-methyl-(3-tridecoxypropyl)azanium chloride.
Chemical Property Profile of RefChem:77103
Property Insights of RefChem:77103
The XLogP value of 1.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77103. With a topological polar surface area (TPSA) of 49.7 Ų, RefChem:77103 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77103 has 2 hydrogen bond donor(s) and 4 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 RefChem:77103?
The CAS number of RefChem:77103 is 68444-16-6.
What is the molecular formula of RefChem:77103?
The molecular formula of RefChem:77103 is C21H46ClNO3.
What is the molecular weight of RefChem:77103?
The molecular weight of RefChem:77103 is 395.32 g/mol.
Where can I buy RefChem:77103?
You can request a quote for RefChem:77103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77103?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.