Bromchlorenone
TL;DR: Bromchlorenone (CAS 5579-85-1) is a chemical compound with molecular formula C7H3BrClNO2 and molecular weight 246.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
Also Known As: Bromchlorenone, Vinyzene, Bromchlorenonum, Bromclorenona, 6-bromo-5-chlorobenzo[d]oxazol-2(3H)-one
| Molecular Formula | C7H3BrClNO2 |
|---|---|
| Molecular Weight | 246.90 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.90356 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 5579-85-1 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Br)OC(=O)N2 |
| InChIKey | KVAWWXSLBDVXHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromchlorenone (CAS 5579-85-1), with molecular formula C7H3BrClNO2 and molecular weight 246.90 g/mol. IUPAC: 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of Bromchlorenone
Property Insights of Bromchlorenone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromchlorenone. With a topological polar surface area (TPSA) of 38.3 Ų, Bromchlorenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromchlorenone has 1 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 Bromchlorenone?
The CAS number of Bromchlorenone is 5579-85-1.
What is the molecular formula of Bromchlorenone?
The molecular formula of Bromchlorenone is C7H3BrClNO2.
What is the molecular weight of Bromchlorenone?
The molecular weight of Bromchlorenone is 246.90 g/mol.
Where can I buy Bromchlorenone?
You can request a quote for Bromchlorenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromchlorenone?
Yes, KEHONG BIO provides custom synthesis services for Bromchlorenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.