Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-
TL;DR: Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- (CAS 102434-05-9) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 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-(2,6-dimethylphenyl)urea
Also Known As: Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-, 1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea, 1-(2,6-Dimethylphenyl)-3-(3,4-methylenedioxyphenyl)urea, Urea, 1-(2,6-dimethylphenyl)-3-(1,3-benzodioxol-5-yl)-, Urea,N-1,3-benzodioxol-5-yl-N'-(2,6-dimethylphenyl)-
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 102434-05-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=CC3=C(C=C2)OCO3 |
| InChIKey | AQNRLAMITQQAKZ-UHFFFAOYSA-N |
Product Overview
Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- (CAS 102434-05-9), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea.
Chemical Property Profile of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-
Property Insights of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-
The XLogP value of 3.0 indicates that Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- 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 Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-?
The CAS number of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- is 102434-05-9.
What is the molecular formula of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-?
The molecular formula of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- is C16H16N2O3.
What is the molecular weight of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-?
The molecular weight of Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- is 284.12 g/mol.
Where can I buy Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-?
You can request a quote for Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(1,3-benzodioxol-5-yl)-3-(2,6-xylyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.