1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea
TL;DR: 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea (CAS 899586-18-6) is a chemical compound with molecular formula C13H12BrN3O and molecular weight 305.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-pyridinyl)-3-(3-methylphenyl)urea
Also Known As: 1-(5-bromopyridin-2-yl)-3-(3-methylphenyl)urea, 3-(5-bromopyridin-2-yl)-1-(3-methylphenyl)urea, N-(5-BROMO-2-PYRIDYL)-N'-(3-METHYLPHENYL)UREA, [(5-bromo(2-pyridyl))amino]-N-(3-methylphenyl)carboxamide
| Molecular Formula | C13H12BrN3O |
|---|---|
| Molecular Weight | 305.02 g/mol |
| LogP | 3.79652 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.01636 |
| Heavy Atoms | 18 |
| Complexity | 554.4177 |
Chemical Identifiers
| CAS Number | 899586-18-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)NC2=NC=C(C=C2)Br |
Product Overview
1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea (CAS 899586-18-6), with molecular formula C13H12BrN3O and molecular weight 305.02 g/mol. IUPAC: 1-(5-bromo-2-pyridinyl)-3-(3-methylphenyl)urea.
Chemical Property Profile of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea
Property Insights of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea
The XLogP value of 3.79652 indicates that 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea has 2 hydrogen bond donor(s) and 2 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-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea?
The CAS number of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea is 899586-18-6.
What is the molecular formula of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea?
The molecular formula of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea is C13H12BrN3O.
What is the molecular weight of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea?
The molecular weight of 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea is 305.02 g/mol.
Where can I buy 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea?
You can request a quote for 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromopyridin-2-yl)-3-(3-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.