![3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea structure](/static/products/858/858765-29-4.png)
3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
TL;DR: 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea (CAS 858765-29-4) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
Also Known As: 3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea, 3-benzyl-1-(2-(6-formyl-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-1-methylthiourea
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.7854 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 826.47656 |
Chemical Identifiers
| CAS Number | 858765-29-4 |
|---|---|
| SMILES | CN(CCC1=CC2=C(C(=C1C=O)OC)OCO2)C(=S)NCC3=CC=CC=C3 |
Product Overview
3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea (CAS 858765-29-4), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3-benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea.
Chemical Property Profile of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
Property Insights of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
The XLogP value of 2.7854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea. Following Lipinski's Rule of Five, 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-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 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea?
The CAS number of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea is 858765-29-4.
What is the molecular formula of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea?
The molecular formula of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea is C20H22N2O4S.
What is the molecular weight of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea?
The molecular weight of 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea is 386.13 g/mol.
Where can I buy 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea?
You can request a quote for 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-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 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.