1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea (CAS 355143-13-4) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea, 1-Benzo[1,3]dioxol-5-ylmethyl-1-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-3-methyl-thiourea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.0537 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 934.303 |
Chemical Identifiers
| CAS Number | 355143-13-4 |
|---|---|
| SMILES | CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=CC=C4 |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea (CAS 355143-13-4), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea
The XLogP value of 2.0537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea has 1 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 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea is 355143-13-4.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea is C20H19N3O4S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea is 397.11 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.