1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea
TL;DR: 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea (CAS 313376-09-9) is a chemical compound with molecular formula C16H21Cl2N3O2S2 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-butan-2-yl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea
Also Known As: 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea, 1-(3-butan-2-yl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea, 1-[3-(butan-2-yl)-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
| Molecular Formula | C16H21Cl2N3O2S2 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 5.4534 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.04523 |
| Heavy Atoms | 25 |
| Complexity | 687.3437 |
Chemical Identifiers
| CAS Number | 313376-09-9 |
|---|---|
| SMILES | CCC(C)N1C(C(SC1=S)(C)C)N(C(=O)NC2=CC(=C(C=C2)Cl)Cl)O |
Product Overview
1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea (CAS 313376-09-9), with molecular formula C16H21Cl2N3O2S2 and molecular weight 421.05 g/mol. IUPAC: 1-(3-butan-2-yl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea.
Chemical Property Profile of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea
Property Insights of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea
The XLogP value of 5.4534 indicates that 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea 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-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea 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-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea?
The CAS number of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea is 313376-09-9.
What is the molecular formula of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea?
The molecular formula of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea is C16H21Cl2N3O2S2.
What is the molecular weight of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea?
The molecular weight of 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea is 421.05 g/mol.
Where can I buy 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea?
You can request a quote for 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(sec-butyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3,4-dichlorophenyl)-1-hydroxyurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.