![1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea structure](/static/products/313/313550-55-9.png)
1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea
TL;DR: 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea (CAS 313550-55-9) is a chemical compound with molecular formula C21H23N3O6S3 and molecular weight 509.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea
Also Known As: 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea, N-((3-(benzo[d][1,3]dioxol-5-ylmethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)(hydroxy)carbamoyl)-4-methylbenzenesulfonamide, N-{[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl](hydroxy)carbamoyl}-4-methylbenzenesulfonamide
| Molecular Formula | C21H23N3O6S3 |
|---|---|
| Molecular Weight | 509.07 g/mol |
| LogP | 3.45182 |
| Topological Polar Surface Area | 108.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.0749 |
| Heavy Atoms | 33 |
| Complexity | 1200.2258 |
Chemical Identifiers
| CAS Number | 313550-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(C2C(SC(=S)N2CC3=CC4=C(C=C3)OCO4)(C)C)O |
Product Overview
1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea (CAS 313550-55-9), with molecular formula C21H23N3O6S3 and molecular weight 509.07 g/mol. IUPAC: 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea
Property Insights of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea
The XLogP value of 3.45182 indicates that 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea. Following Lipinski's Rule of Five, 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea has 2 hydrogen bond donor(s) and 8 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-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea?
The CAS number of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea is 313550-55-9.
What is the molecular formula of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea?
The molecular formula of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea is C21H23N3O6S3.
What is the molecular weight of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea?
The molecular weight of 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea is 509.07 g/mol.
Where can I buy 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea?
You can request a quote for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)sulfonylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.