1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
TL;DR: 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea (CAS 50529-13-0) is a chemical compound with molecular formula C12H14BrN3O and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Also Known As: 5-22-08-00196 (Beilstein Handbook Reference), Urea, (3-bromophenyl)(1-methyl-2-pyrrolidinylidene)-, 1-(3-bromophenyl)-3 -(1-methyl-2-pyrrolidylidene)urea, 1-(3-bromophenyl)-3-(1-methyl-2-pyrrolidylidene)urea, 1-(m-Bromophenyl)-3-(1-methyl-2-pyrrolidinylidene)urea
| Molecular Formula | C12H14BrN3O |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 3.1051 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.032 |
| Heavy Atoms | 17 |
| Complexity | 458.81888 |
Chemical Identifiers
| CAS Number | 50529-13-0 |
|---|---|
| SMILES | CN1CCCC1=NC(=O)NC2=CC(=CC=C2)Br |
Product Overview
1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea (CAS 50529-13-0), with molecular formula C12H14BrN3O and molecular weight 295.03 g/mol. IUPAC: 1-(3-bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea.
Chemical Property Profile of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Property Insights of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
The XLogP value of 3.1051 indicates that 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea has 1 hydrogen bond donor(s) and 1 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-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The CAS number of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is 50529-13-0.
What is the molecular formula of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The molecular formula of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is C12H14BrN3O.
What is the molecular weight of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The molecular weight of 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea is 295.03 g/mol.
Where can I buy 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
You can request a quote for 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(m-Bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.