1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea
TL;DR: 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea (CAS 372157-66-9) is a chemical compound with molecular formula C20H25N3O2S2 and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
Also Known As: 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea, 1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea, 1-[5,5-dimethyl-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea
| Molecular Formula | C20H25N3O2S2 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 5.1573 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.13882 |
| Heavy Atoms | 27 |
| Complexity | 863.9306 |
Chemical Identifiers
| CAS Number | 372157-66-9 |
|---|---|
| SMILES | CC(C)CN1C(C(SC1=S)(C)C)N(C(=O)NC2=CC=CC3=CC=CC=C32)O |
Product Overview
1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea (CAS 372157-66-9), with molecular formula C20H25N3O2S2 and molecular weight 403.14 g/mol. IUPAC: 1-[5,5-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-naphthalen-1-ylurea.
Chemical Property Profile of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea
Property Insights of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea
The XLogP value of 5.1573 indicates that 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-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, 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea?
The CAS number of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea is 372157-66-9.
What is the molecular formula of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea?
The molecular formula of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea is C20H25N3O2S2.
What is the molecular weight of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea?
The molecular weight of 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea is 403.14 g/mol.
Where can I buy 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea?
You can request a quote for 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-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-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-1-(3-isobutyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(naphthalen-1-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.