Brocresin
TL;DR: Brocresin (CAS 555-65-7) is a chemical compound with molecular formula C7H8BrNO2 and molecular weight 216.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aminooxymethyl)-2-bromophenol
Also Known As: Brocresine, Brocresin, Brocresina, Brocresinum, Brocresina [INN-Spanish]
| Molecular Formula | C7H8BrNO2 |
|---|---|
| Molecular Weight | 216.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.97385 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 555-65-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CON)O)Br |
| InChIKey | QNWOSJAGFSUDFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brocresin (CAS 555-65-7), with molecular formula C7H8BrNO2 and molecular weight 216.97 g/mol. IUPAC: 5-(aminooxymethyl)-2-bromophenol.
Chemical Property Profile of Brocresin
Property Insights of Brocresin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brocresin. With a topological polar surface area (TPSA) of 55.5 Ų, Brocresin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brocresin 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 Brocresin?
The CAS number of Brocresin is 555-65-7.
What is the molecular formula of Brocresin?
The molecular formula of Brocresin is C7H8BrNO2.
What is the molecular weight of Brocresin?
The molecular weight of Brocresin is 216.97 g/mol.
Where can I buy Brocresin?
You can request a quote for Brocresin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brocresin?
Yes, KEHONG BIO provides custom synthesis services for Brocresin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.