1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea
TL;DR: 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea (CAS 369605-83-4) is a chemical compound with molecular formula C20H22ClN3O3S2 and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea
Also Known As: 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea, 1-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea
| Molecular Formula | C20H22ClN3O3S2 |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 5.2103 |
| Topological Polar Surface Area | 65.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0791 |
| Heavy Atoms | 29 |
| Complexity | 911.09937 |
Chemical Identifiers
| CAS Number | 369605-83-4 |
|---|---|
| SMILES | CC1(C(N(C(=S)S1)CC2=CC=CC=C2)N(C(=O)NC3=CC(=C(C=C3)OC)Cl)O)C |
Product Overview
1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea (CAS 369605-83-4), with molecular formula C20H22ClN3O3S2 and molecular weight 451.08 g/mol. IUPAC: 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea.
Chemical Property Profile of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea
Property Insights of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea
The XLogP value of 5.2103 indicates that 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea. Following Lipinski's Rule of Five, 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea has 2 hydrogen bond donor(s) and 5 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-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea?
The CAS number of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea is 369605-83-4.
What is the molecular formula of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea?
The molecular formula of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea is C20H22ClN3O3S2.
What is the molecular weight of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea?
The molecular weight of 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea is 451.08 g/mol.
Where can I buy 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea?
You can request a quote for 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-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-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-3-(3-chloro-4-methoxyphenyl)-1-hydroxyurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.