Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)
TL;DR: Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) (CAS 101221-58-3) is a chemical compound with molecular formula C11H18FN3O9S2 and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorophenyl)-4-oxobutyl]guanidine;sulfuric acid
Also Known As: 4'-Fluoro-4-guanidinobutyrophenone sulfate (1:2), Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2), 3-(4'-Fluorobenzoil)propilguanidina solfato (1:2), 3-(4'-Fluorobenzoil)propilguanidina solfato (1:2) [Italian], Butyrophenone,4'-fluoro-4-(guanidino)-,sulfate (1:2)
| Molecular Formula | C11H18FN3O9S2 |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | -0.2436 |
| Topological Polar Surface Area | 230.67 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.04684 |
| Heavy Atoms | 26 |
| Complexity | 742.7056 |
Chemical Identifiers
| CAS Number | 101221-58-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCCN=C(N)N)F.OS(=O)(=O)O.OS(=O)(=O)O |
Product Overview
Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) (CAS 101221-58-3), with molecular formula C11H18FN3O9S2 and molecular weight 419.05 g/mol. IUPAC: 2-[4-(4-fluorophenyl)-4-oxobutyl]guanidine;sulfuric acid.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)
Property Insights of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)
The XLogP value of -0.2436 indicates that Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.67 Ų indicates high polarity, suggesting Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)?
The CAS number of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) is 101221-58-3.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)?
The molecular formula of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) is C11H18FN3O9S2.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)?
The molecular weight of Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) is 419.05 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)?
You can request a quote for Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.