RefChem:436042
TL;DR: RefChem:436042 (CAS 53518-00-6) is a chemical compound with molecular formula C10H16ClF9N2O2S and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium chloride
Also Known As: 1-propanol, 3-(nitrosopropylamino)-, 1-Propanaminium, N,N,N-trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]-, chloride, trimethyl-3-[[ sulphonyl]amino]propylammoniumchloride, 3-(((Nonafluorobutyl)sulfonyl)-amino)-N,N,N-trimethyl-1-propanaminium chloride, 1-Propanaminium, N,N,N-trimethyl-3-(((nonafluorobutyl)sulfonyl)amino)-, chloride
| Molecular Formula | C10H16ClF9N2O2S |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | -0.57 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.04773 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 53518-00-6 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[Cl-] |
| InChIKey | XPUBELOONPJHFF-UHFFFAOYSA-M |
Product Overview
RefChem:436042 (CAS 53518-00-6), with molecular formula C10H16ClF9N2O2S and molecular weight 434.05 g/mol. IUPAC: trimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium chloride.
Chemical Property Profile of RefChem:436042
Property Insights of RefChem:436042
The XLogP value of -0.57 indicates that RefChem:436042 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:436042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:436042 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:436042?
The CAS number of RefChem:436042 is 53518-00-6.
What is the molecular formula of RefChem:436042?
The molecular formula of RefChem:436042 is C10H16ClF9N2O2S.
What is the molecular weight of RefChem:436042?
The molecular weight of RefChem:436042 is 434.05 g/mol.
Where can I buy RefChem:436042?
You can request a quote for RefChem:436042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436042?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.