RefChem:163034
TL;DR: RefChem:163034 (CAS 68310-02-1) is a chemical compound with molecular formula C13H14F15NO3S and molecular weight 549.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide
Also Known As: 1-Heptanesulfonamide, N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-, N-Butyl-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide, n-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-n-(2-hydroxyethyl)heptane-1-sulfonamide, N-Butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulphonamide, N-Butyl-N-(2-hydroxyethyl)perfluoroheptanesulfonamide
| Molecular Formula | C13H14F15NO3S |
|---|---|
| Molecular Weight | 549.05 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 549.0455 |
| Heavy Atoms | 33 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 68310-02-1 |
|---|---|
| SMILES | CCCCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | WIUXGCKDKOYUAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:163034 (CAS 68310-02-1), with molecular formula C13H14F15NO3S and molecular weight 549.05 g/mol. IUPAC: N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide.
Chemical Property Profile of RefChem:163034
Property Insights of RefChem:163034
The XLogP value of 5.3 indicates that RefChem:163034 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:163034. Following Lipinski's Rule of Five, RefChem:163034 has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:163034?
The CAS number of RefChem:163034 is 68310-02-1.
What is the molecular formula of RefChem:163034?
The molecular formula of RefChem:163034 is C13H14F15NO3S.
What is the molecular weight of RefChem:163034?
The molecular weight of RefChem:163034 is 549.05 g/mol.
Where can I buy RefChem:163034?
You can request a quote for RefChem:163034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:163034?
Yes, KEHONG BIO provides custom synthesis services for RefChem:163034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.