![1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea structure](/static/products/102/1023937-55-4.png)
1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea (CAS 1023937-55-4) is a chemical compound with molecular formula C27H25N3O5S and molecular weight 503.15 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-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea, 1-(benzo[1,3]dioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-thiourea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)-3-phenylthiourea
| Molecular Formula | C27H25N3O5S |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 4.3451 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1515 |
| Heavy Atoms | 36 |
| Complexity | 1282.3264 |
Chemical Identifiers
| CAS Number | 1023937-55-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5 |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea (CAS 1023937-55-4), with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
The XLogP value of 4.3451 indicates that 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea is 1023937-55-4.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea is C27H25N3O5S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea is 503.15 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea 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-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.