Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-
TL;DR: Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- (CAS 102434-17-3) is a chemical compound with molecular formula C10H11BrN2O3 and molecular weight 286.00 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-bromoethyl)urea
Also Known As: Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-, 1-(2-Bromoethyl)-3-(3,4-methylenedioxyphenyl)urea, 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea, 1-(2-Bromoethyl)-3-(1,3-benzodioxol-5-yl)urea, N-(2H-1,3-Benzodioxol-5-yl)-N'-(2-bromoethyl)urea
| Molecular Formula | C10H11BrN2O3 |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.9953 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 102434-17-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)NCCBr |
| InChIKey | RDCOKGWXWNQHHF-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- (CAS 102434-17-3), with molecular formula C10H11BrN2O3 and molecular weight 286.00 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea.
Chemical Property Profile of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-
Property Insights of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-. With a topological polar surface area (TPSA) of 59.6 Ų, Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- 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-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-?
The CAS number of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- is 102434-17-3.
What is the molecular formula of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-?
The molecular formula of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- is C10H11BrN2O3.
What is the molecular weight of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-?
The molecular weight of Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- is 286.00 g/mol.
Where can I buy Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-?
You can request a quote for Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.