1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea (CAS 433324-38-0) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 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-(2,5-dimethylphenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea, N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,5-dimethylphenyl)thiourea, [(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino][(2,5-dimethylphenyl)amino]meth ane-1-thione
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.51874 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 715.8003 |
Chemical Identifiers
| CAS Number | 433324-38-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea (CAS 433324-38-0), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
The XLogP value of 3.51874 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea has 2 hydrogen bond donor(s) and 3 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-(2,5-dimethylphenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea is 433324-38-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea is C17H18N2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea is 314.11 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.