RefChem:435163
TL;DR: RefChem:435163 (CAS 68239-73-6) is a chemical compound with molecular formula C13H12F17NO3S and molecular weight 585.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(4-hydroxybutyl)-N-methyloctane-1-sulfonamide
Also Known As: heptadecafluoro-n-n-methyloctanesulphonamide, 1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(4-hydroxybutyl)-N-methyl-, Heptadecafluoro-N-(4-hydroxybutyl)-N-methyl-1-octanesulfonamide, heptadecafluoro-N- -N-methyloctanesulphonamide, Heptadecafluoro-N-(4-hydroxybutyl)-N-methyloctanesulphonamide
| Molecular Formula | C13H12F17NO3S |
|---|---|
| Molecular Weight | 585.03 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 585.0267 |
| Heavy Atoms | 35 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 68239-73-6 |
|---|---|
| SMILES | CN(CCCCO)S(=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 |
| InChIKey | IARCBLTVLGDOGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:435163 (CAS 68239-73-6), with molecular formula C13H12F17NO3S and molecular weight 585.03 g/mol. IUPAC: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(4-hydroxybutyl)-N-methyloctane-1-sulfonamide.
Chemical Property Profile of RefChem:435163
Property Insights of RefChem:435163
The XLogP value of 5.5 indicates that RefChem:435163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:435163. Following Lipinski's Rule of Five, RefChem:435163 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:435163?
The CAS number of RefChem:435163 is 68239-73-6.
What is the molecular formula of RefChem:435163?
The molecular formula of RefChem:435163 is C13H12F17NO3S.
What is the molecular weight of RefChem:435163?
The molecular weight of RefChem:435163 is 585.03 g/mol.
Where can I buy RefChem:435163?
You can request a quote for RefChem:435163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435163?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.