3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea
TL;DR: 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea (CAS 372154-20-6) is a chemical compound with molecular formula C16H22ClN3O2S2 and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea
Also Known As: 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea, 3-(3-chlorophenyl)-1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea
| Molecular Formula | C16H22ClN3O2S2 |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 4.6575 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0842 |
| Heavy Atoms | 24 |
| Complexity | 639.5035 |
Chemical Identifiers
| CAS Number | 372154-20-6 |
|---|---|
| SMILES | CC(C)CN1C(C(SC1=S)(C)C)N(C(=O)NC2=CC(=CC=C2)Cl)O |
Product Overview
3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea (CAS 372154-20-6), with molecular formula C16H22ClN3O2S2 and molecular weight 387.08 g/mol. IUPAC: 3-(3-chlorophenyl)-1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea.
Chemical Property Profile of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea
Property Insights of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea
The XLogP value of 4.6575 indicates that 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.81 Ų, 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-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 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea?
The CAS number of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea is 372154-20-6.
What is the molecular formula of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea?
The molecular formula of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea is C16H22ClN3O2S2.
What is the molecular weight of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea?
The molecular weight of 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea is 387.08 g/mol.
Where can I buy 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea?
You can request a quote for 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-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 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.