RefChem:480057
TL;DR: RefChem:480057 (CAS 67906-39-2) is a chemical compound with molecular formula C13H16F9NO4S and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl 2-methylprop-2-enoate
Also Known As: 4-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]BUTYL METHACRYLATE, 4-(Methyl((nonafluorobutyl)sulfonyl)amino)butyl methacrylate, 4-(Methyl((nonafluorobutyl)sulphonyl)amino)butyl methacrylate, 4-{methyl[(nonafluorobutyl)sulfonyl]amino}butyl methacrylate, 2-Methyl-2-propenoic acid, 4-(methyl((nonafluorobutyl)sulfonyl)amino)butyl ester
| Molecular Formula | C13H16F9NO4S |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.06564 |
| Heavy Atoms | 28 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 67906-39-2 |
|---|---|
| SMILES | CC(=C)C(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | GJCCTHAVFKJHMN-UHFFFAOYSA-N |
Product Overview
RefChem:480057 (CAS 67906-39-2), with molecular formula C13H16F9NO4S and molecular weight 453.07 g/mol. IUPAC: 4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl 2-methylprop-2-enoate.
Chemical Property Profile of RefChem:480057
Property Insights of RefChem:480057
The XLogP value of 4.3 indicates that RefChem:480057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:480057. Following Lipinski's Rule of Five, RefChem:480057 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:480057?
The CAS number of RefChem:480057 is 67906-39-2.
What is the molecular formula of RefChem:480057?
The molecular formula of RefChem:480057 is C13H16F9NO4S.
What is the molecular weight of RefChem:480057?
The molecular weight of RefChem:480057 is 453.07 g/mol.
Where can I buy RefChem:480057?
You can request a quote for RefChem:480057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:480057?
Yes, KEHONG BIO provides custom synthesis services for RefChem:480057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.