1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea
TL;DR: 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea (CAS 306316-52-9) is a chemical compound with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)urea
Also Known As: BAS 00212485, 1-hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea, 1-hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)urea
| Molecular Formula | C13H17N3O2S2 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.9779 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07623 |
| Heavy Atoms | 20 |
| Complexity | 521.60736 |
Chemical Identifiers
| CAS Number | 306316-52-9 |
|---|---|
| SMILES | CC1(C(N(C(=S)S1)C)N(C(=O)NC2=CC=CC=C2)O)C |
Product Overview
1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea (CAS 306316-52-9), with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol. IUPAC: 1-hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)urea.
Chemical Property Profile of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea
Property Insights of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea
The XLogP value of 2.9779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea. With a topological polar surface area (TPSA) of 55.81 Ų, 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea 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-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea?
The CAS number of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea is 306316-52-9.
What is the molecular formula of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea?
The molecular formula of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea is C13H17N3O2S2.
What is the molecular weight of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea?
The molecular weight of 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea is 311.08 g/mol.
Where can I buy 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea?
You can request a quote for 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3-phenyl-1-(3,5,5-trimethyl-2-thioxothiazolidin-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.