RefChem:117634
TL;DR: RefChem:117634 (CAS 69205-13-6) is a chemical compound with molecular formula C21H37ClN2O and molecular weight 368.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-[3-(nonanoylamino)propyl]azanium chloride
Also Known As: 3-Pelargonamidopropyldimethylbenzylammonium chloride, benzyl-dimethyl-[3-(nonanoylamino)propyl]azanium chloride, Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxononyl)amino)propyl)-, chloride, benzyl-dimethyl-[3-(nonanoylamino)propyl]azanium,chloride, n-benzyl-n,n-dimethyl-3-(nonanoylamino)propan-1-aminium chloride
| Molecular Formula | C21H37ClN2O |
|---|---|
| Molecular Weight | 368.26 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 368.25943 |
| Heavy Atoms | 25 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 69205-13-6 |
|---|---|
| SMILES | CCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | TVVZLALIXIVZOM-UHFFFAOYSA-N |
Product Overview
RefChem:117634 (CAS 69205-13-6), with molecular formula C21H37ClN2O and molecular weight 368.26 g/mol. IUPAC: benzyl-dimethyl-[3-(nonanoylamino)propyl]azanium chloride.
Chemical Property Profile of RefChem:117634
Property Insights of RefChem:117634
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117634. With a topological polar surface area (TPSA) of 29.1 Ų, RefChem:117634 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117634 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 RefChem:117634?
The CAS number of RefChem:117634 is 69205-13-6.
What is the molecular formula of RefChem:117634?
The molecular formula of RefChem:117634 is C21H37ClN2O.
What is the molecular weight of RefChem:117634?
The molecular weight of RefChem:117634 is 368.26 g/mol.
Where can I buy RefChem:117634?
You can request a quote for RefChem:117634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117634?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.