![1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea structure](/static/products/843/843629-53-8.png)
1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea (CAS 843629-53-8) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea, 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiourea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-3-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)thiourea, N-(1,3-Benzodioxol-5-ylmethyl)-Na(2)-[[4,5-dihydro-3-(4-methoxyphenyl)-5-isoxazolyl]methyl]thiourea, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N'-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.5812 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 885.5196 |
Chemical Identifiers
| CAS Number | 843629-53-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(C2)CNC(=S)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea (CAS 843629-53-8), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiourea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea
The XLogP value of 2.5812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea 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 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea is 843629-53-8.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea is C20H21N3O4S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea is 399.13 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea 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)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.