1-(1,3-Benzodioxol-5-yl)-1-isopropylurea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea (CAS 33095-94-2) 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)-1-propan-2-ylurea
Also Known As: 1- -1-isopropylurea, 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea, KST-1B3340, Urea, N-1,3-benzodioxol-5-yl-N-(1-methylethyl)-, 1-(1,3-benzodioxol-5-yl)-1-propan-2-ylurea
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 33095-94-2 |
|---|---|
| SMILES | CC(C)N(C1=CC2=C(C=C1)OCO2)C(=O)N |
| InChIKey | CHOBLILHXVGGLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzodioxol-5-yl)-1-isopropylurea (CAS 33095-94-2), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-1-propan-2-ylurea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea has 1 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)-1-isopropylurea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea is 33095-94-2.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea is C11H14N2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea is 222.10 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea 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)-1-isopropylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-1-isopropylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.