1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea (CAS 900658-80-2) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea, N-1,3-benzodioxol-5-yl-N'-(2-ethyl-6-methylphenyl)urea, N-(1,3-BENZODIOXOL-5-YL)-N'-(2-ETHYL-6-METHYLPHENYL)UREA, (2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)-N-(6-ethyl-2-methylphenyl)carboxamide
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 3.93012 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 713.0454 |
Chemical Identifiers
| CAS Number | 900658-80-2 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)NC2=CC3=C(C=C2)OCO3)C |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea (CAS 900658-80-2), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea
The XLogP value of 3.93012 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea 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-yl)-3-(2-ethyl-6-methylphenyl)urea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea is 900658-80-2.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea is C17H18N2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea is 298.13 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea 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-yl)-3-(2-ethyl-6-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(2-ethyl-6-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.