3-Bromophenylurea
TL;DR: 3-Bromophenylurea (CAS 2989-98-2) is a chemical compound with molecular formula C7H7BrN2O and molecular weight 213.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)urea
Also Known As: 3-BROMOPHENYLUREA, 1-(3-Bromophenyl)Urea, (3-bromophenyl)urea, 3-Bromopheylurea, N-(3-Bromophenyl)urea
| Molecular Formula | C7H7BrN2O |
|---|---|
| Molecular Weight | 213.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.97418 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 2989-98-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)NC(=O)N |
| InChIKey | DHMRSMNEKFDABI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromophenylurea (CAS 2989-98-2), with molecular formula C7H7BrN2O and molecular weight 213.97 g/mol. IUPAC: (3-bromophenyl)urea.
Chemical Property Profile of 3-Bromophenylurea
Property Insights of 3-Bromophenylurea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromophenylurea. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Bromophenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromophenylurea has 2 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 3-Bromophenylurea?
The CAS number of 3-Bromophenylurea is 2989-98-2.
What is the molecular formula of 3-Bromophenylurea?
The molecular formula of 3-Bromophenylurea is C7H7BrN2O.
What is the molecular weight of 3-Bromophenylurea?
The molecular weight of 3-Bromophenylurea is 213.97 g/mol.
Where can I buy 3-Bromophenylurea?
You can request a quote for 3-Bromophenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromophenylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromophenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.