1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea
TL;DR: 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea (CAS 330181-76-5) is a chemical compound with molecular formula C17H24FN3O2S2 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea
Also Known As: 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea, 1-[3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea, 1-{3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl}-1-hydroxy-3-propan-2-ylurea
| Molecular Formula | C17H24FN3O2S2 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.6158 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1294 |
| Heavy Atoms | 25 |
| Complexity | 654.53503 |
Chemical Identifiers
| CAS Number | 330181-76-5 |
|---|---|
| SMILES | CC(C)NC(=O)N(C1C(SC(=S)N1CCC2=CC=CC=C2F)(C)C)O |
Product Overview
1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea (CAS 330181-76-5), with molecular formula C17H24FN3O2S2 and molecular weight 385.13 g/mol. IUPAC: 1-[3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea.
Chemical Property Profile of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea
Property Insights of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea
The XLogP value of 3.6158 indicates that 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.81 Ų, 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea?
The CAS number of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea is 330181-76-5.
What is the molecular formula of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea?
The molecular formula of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea is C17H24FN3O2S2.
What is the molecular weight of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea?
The molecular weight of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea is 385.13 g/mol.
Where can I buy 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea?
You can request a quote for 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-isopropylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.