RefChem:435960
TL;DR: RefChem:435960 (CAS 38006-74-5) is a chemical compound with molecular formula C14H16ClF17N2O2S and molecular weight 634.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium chloride
Also Known As: 3-(((Heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chloride, 1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, chloride, 1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, chloride, (3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium chloride, 1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, chloride (1:1)
| Molecular Formula | C14H16ClF17N2O2S |
|---|---|
| Molecular Weight | 634.03 g/mol |
| LogP | 1.973 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 634.035 |
| Heavy Atoms | 37 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 38006-74-5 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Cl-] |
| InChIKey | BIJMEXQJDYBHGD-UHFFFAOYSA-M |
Product Overview
RefChem:435960 (CAS 38006-74-5), with molecular formula C14H16ClF17N2O2S and molecular weight 634.03 g/mol. IUPAC: 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium chloride.
Chemical Property Profile of RefChem:435960
Property Insights of RefChem:435960
The XLogP value of 1.973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:435960. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:435960 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:435960 has 1 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:435960?
The CAS number of RefChem:435960 is 38006-74-5.
What is the molecular formula of RefChem:435960?
The molecular formula of RefChem:435960 is C14H16ClF17N2O2S.
What is the molecular weight of RefChem:435960?
The molecular weight of RefChem:435960 is 634.03 g/mol.
Where can I buy RefChem:435960?
You can request a quote for RefChem:435960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435960?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.