![(E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea structure](/static/products/858/858767-30-3.png)
(E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
TL;DR: (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea (CAS 858767-30-3) is a chemical compound with molecular formula C15H21N3O4S and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea
Also Known As: (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea, 3-ethyl-1-(2-{6-[(E)-(hydroxyimino)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea, 3-ethyl-1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea
| Molecular Formula | C15H21N3O4S |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 1.6007 |
| Topological Polar Surface Area | 75.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.12527 |
| Heavy Atoms | 23 |
| Complexity | 606.87506 |
Chemical Identifiers
| CAS Number | 858767-30-3 |
|---|---|
| SMILES | CCNC(=S)N(C)CCC1=CC2=C(C(=C1/C=N/O)OC)OCO2 |
Product Overview
(E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea (CAS 858767-30-3), with molecular formula C15H21N3O4S and molecular weight 339.13 g/mol. IUPAC: 3-ethyl-1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methylthiourea.
Chemical Property Profile of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
Property Insights of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
The XLogP value of 1.6007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea. The TPSA of 75.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea. Following Lipinski's Rule of Five, (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea 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)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
The CAS number of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea is 858767-30-3.
What is the molecular formula of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
The molecular formula of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea is C15H21N3O4S.
What is the molecular weight of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
The molecular weight of (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea is 339.13 g/mol.
Where can I buy (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
You can request a quote for (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-ethyl-1-(2-(6-((hydroxyimino)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.