3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea
TL;DR: 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea (CAS 372083-45-9) is a chemical compound with molecular formula C21H27N5O3S2 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-[5,5-dimethyl-3-(naphthalen-1-ylcarbamoylamino)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea
Also Known As: 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea, 3-butyl-1-[5,5-dimethyl-3-(naphthalen-1-ylcarbamoylamino)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea, 3-butyl-1-{5,5-dimethyl-3-[(naphthalen-1-ylcarbamoyl)amino]-2-thioxo-1,3-thiazolidin-4-yl}-1-hydroxyurea (non-preferred name)
| Molecular Formula | C21H27N5O3S2 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 4.5156 |
| Topological Polar Surface Area | 96.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.15552 |
| Heavy Atoms | 31 |
| Complexity | 979.1465 |
Chemical Identifiers
| CAS Number | 372083-45-9 |
|---|---|
| SMILES | CCCCNC(=O)N(C1C(SC(=S)N1NC(=O)NC2=CC=CC3=CC=CC=C32)(C)C)O |
Product Overview
3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea (CAS 372083-45-9), with molecular formula C21H27N5O3S2 and molecular weight 461.16 g/mol. IUPAC: 3-butyl-1-[5,5-dimethyl-3-(naphthalen-1-ylcarbamoylamino)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxyurea.
Chemical Property Profile of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea
Property Insights of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea
The XLogP value of 4.5156 indicates that 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea. Following Lipinski's Rule of Five, 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea has 4 hydrogen bond donor(s) and 5 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-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea?
The CAS number of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea is 372083-45-9.
What is the molecular formula of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea?
The molecular formula of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea is C21H27N5O3S2.
What is the molecular weight of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea?
The molecular weight of 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea is 461.16 g/mol.
Where can I buy 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea?
You can request a quote for 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-1-(5,5-dimethyl-3-(3-(naphthalen-1-yl)ureido)-2-thioxothiazolidin-4-yl)-1-hydroxyurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.