1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea
TL;DR: 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea (CAS 100221-84-9) is a chemical compound with molecular formula C13H11F17N2O3S and molecular weight 598.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea
Also Known As: 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea, N-[(Butylamino)carbonyl]-perfluoro-1-octanesulfonamide, 3-butyl-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea, N-(Butylcarbamoyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
| Molecular Formula | C13H11F17N2O3S |
|---|---|
| Molecular Weight | 598.02 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.0219 |
| Heavy Atoms | 36 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 100221-84-9 |
|---|---|
| SMILES | CCCCNC(=O)NS(=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 | LJLSZPZGBOIJFU-UHFFFAOYSA-N |
Product Overview
1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea (CAS 100221-84-9), with molecular formula C13H11F17N2O3S and molecular weight 598.02 g/mol. IUPAC: 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea.
Chemical Property Profile of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea
Property Insights of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea
The XLogP value of 6.1 indicates that 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea. Following Lipinski's Rule of Five, 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea has 2 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-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea?
The CAS number of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea is 100221-84-9.
What is the molecular formula of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea?
The molecular formula of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea is C13H11F17N2O3S.
What is the molecular weight of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea?
The molecular weight of 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea is 598.02 g/mol.
Where can I buy 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea?
You can request a quote for 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.