1-Chloro-1-methylcyclododecane
TL;DR: 1-Chloro-1-methylcyclododecane (CAS 75457-12-4) is a chemical compound with molecular formula C20H26F17NO2S and molecular weight 667.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-dodecyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Also Known As: 1-Chloro-1-methylcyclododecane, N-Dodecyl-heptadecafluoro-1-octanesulfonamide, 1-Octanesulfonamide, N-dodecyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, N-dodecyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
| Molecular Formula | C20H26F17NO2S |
|---|---|
| Molecular Weight | 667.14 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Exact Mass | 667.1413 |
| Heavy Atoms | 41 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 75457-12-4 |
|---|---|
| SMILES | CCCCCCCCCCCCNS(=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 | VPYGDCRUSAXTHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1-methylcyclododecane (CAS 75457-12-4), with molecular formula C20H26F17NO2S and molecular weight 667.14 g/mol. IUPAC: N-dodecyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide.
Chemical Property Profile of 1-Chloro-1-methylcyclododecane
Property Insights of 1-Chloro-1-methylcyclododecane
The XLogP value of 10.8 indicates that 1-Chloro-1-methylcyclododecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 1-Chloro-1-methylcyclododecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1-methylcyclododecane has 1 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-1-methylcyclododecane?
The CAS number of 1-Chloro-1-methylcyclododecane is 75457-12-4.
What is the molecular formula of 1-Chloro-1-methylcyclododecane?
The molecular formula of 1-Chloro-1-methylcyclododecane is C20H26F17NO2S.
What is the molecular weight of 1-Chloro-1-methylcyclododecane?
The molecular weight of 1-Chloro-1-methylcyclododecane is 667.14 g/mol.
Where can I buy 1-Chloro-1-methylcyclododecane?
You can request a quote for 1-Chloro-1-methylcyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1-methylcyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1-methylcyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.