1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea
TL;DR: 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea (CAS 222017-94-9) 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-(4-bromophenyl)-3-(pyridin-2-ylmethyl)urea
Also Known As: 1-(4-bromophenyl)-3-(pyridin-2-ylmethyl)urea, 1-(2-Pyridylmethyl)-3-(4-bromophenyl)urea, J1.078.655J, 3-(4-bromophenyl)-1-(pyridin-2-ylmethyl)urea, 3-(4-bromophenyl)-1-[(pyridin-2-yl)methyl]urea
| Molecular Formula | C13H12BrN3O |
|---|---|
| Molecular Weight | 305.02 g/mol |
| LogP | 3.1658 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.01636 |
| Heavy Atoms | 18 |
| Complexity | 513.5194 |
Chemical Identifiers
| CAS Number | 222017-94-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNC(=O)NC2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea (CAS 222017-94-9), with molecular formula C13H12BrN3O and molecular weight 305.02 g/mol. IUPAC: 1-(4-bromophenyl)-3-(pyridin-2-ylmethyl)urea.
Chemical Property Profile of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea
Property Insights of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea
The XLogP value of 3.1658 indicates that 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)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-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)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-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea?
The CAS number of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea is 222017-94-9.
What is the molecular formula of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea?
The molecular formula of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea is C13H12BrN3O.
What is the molecular weight of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea?
The molecular weight of 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea is 305.02 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea?
You can request a quote for 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3-(pyridin-2-ylmethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.