![2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide structure](/static/products/1037/1037836-73-9.webp)
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
TL;DR: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide (CAS 1037836-73-9) is a chemical compound with molecular formula C31H32ClN3O6S and molecular weight 609.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
Also Known As: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide, 2-[3-(1,3-BENZODIOXOL-5-YLMETHYL)-1-(3,4-DIETHOXYPHENETHYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]-N-(4-CHLOROPHENYL)ACETAMIDE, 2-{3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
| Molecular Formula | C31H32ClN3O6S |
|---|---|
| Molecular Weight | 609.17 g/mol |
| LogP | 5.4353 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 609.17004 |
| Heavy Atoms | 42 |
| Complexity | 1467.525 |
Chemical Identifiers
| CAS Number | 1037836-73-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=O)C(N(C2=S)CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=C(C=C5)Cl)OCC |
Product Overview
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide (CAS 1037836-73-9), with molecular formula C31H32ClN3O6S and molecular weight 609.17 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
Property Insights of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
The XLogP value of 5.4353 indicates that 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
The CAS number of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide is 1037836-73-9.
What is the molecular formula of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
The molecular formula of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide is C31H32ClN3O6S.
What is the molecular weight of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
The molecular weight of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide is 609.17 g/mol.
Where can I buy 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
You can request a quote for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.