1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea (CAS 328281-23-8) is a chemical compound with molecular formula C15H13BrN2O3 and molecular weight 348.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea, A0723/0033695, 3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-BROMOPHENYL)UREA, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)[(4-bromophenyl)amino]carboxamide
| Molecular Formula | C15H13BrN2O3 |
|---|---|
| Molecular Weight | 348.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.01096 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 328281-23-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)Br |
| InChIKey | CHGRVKAZMWPEGV-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea (CAS 328281-23-8), with molecular formula C15H13BrN2O3 and molecular weight 348.01 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea
The XLogP value of 3.1 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)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-ylmethyl)-3-(4-bromophenyl)urea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea is 328281-23-8.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea is C15H13BrN2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea is 348.01 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)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-ylmethyl)-3-(4-bromophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-bromophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.