![(E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea structure](/static/products/859/859110-82-0.png)
(E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea
TL;DR: (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea (CAS 859110-82-0) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-(2-phenylethyl)thiourea
Also Known As: (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea, 1-(2-{6-[(E)-(hydroxyimino)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methyl-3-(2-phenylethyl)thiourea, 1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethylthiourea
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.8235 |
| Topological Polar Surface Area | 75.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 873.9751 |
Chemical Identifiers
| CAS Number | 859110-82-0 |
|---|---|
| SMILES | CN(CCC1=CC2=C(C(=C1/C=N/O)OC)OCO2)C(=S)NCCC3=CC=CC=C3 |
Product Overview
(E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea (CAS 859110-82-0), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-(2-phenylethyl)thiourea.
Chemical Property Profile of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea
Property Insights of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea
The XLogP value of 2.8235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea. The TPSA of 75.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea. Following Lipinski's Rule of Five, (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea has 2 hydrogen bond donor(s) and 6 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 (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea?
The CAS number of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea is 859110-82-0.
What is the molecular formula of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea?
The molecular formula of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea is C21H25N3O4S.
What is the molecular weight of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea?
The molecular weight of (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea is 415.16 g/mol.
Where can I buy (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea?
You can request a quote for (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methyl-3-phenethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.