1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea (CAS 147900-48-9) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 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-propan-2-ylurea
Also Known As: N-1,3-benzodioxol-5-yl-N'-isopropylurea, 1-(1,3-benzodioxol-5-yl)-3-propan-2-ylurea, 3-benzo[1,3]dioxol-5-yl-1-propan-2-yl-urea, 1-(benzo[d][1,3]dioxol-5-yl)-3-isopropylurea, N-(1,3-BENZODIOXOL-5-YL)-N'-ISOPROPYLUREA
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.9452 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 404.2162 |
Chemical Identifiers
| CAS Number | 147900-48-9 |
|---|---|
| SMILES | CC(C)NC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea (CAS 147900-48-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-propan-2-ylurea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea
The XLogP value of 1.9452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea. With a topological polar surface area (TPSA) of 59.59 Ų, 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea 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-propan-2-ylurea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea is 147900-48-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea is C11H14N2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea is 222.10 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea 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-propan-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-propan-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.