2-Benzoxazolinone, 5,7-dibromo-
TL;DR: 2-Benzoxazolinone, 5,7-dibromo- (CAS 5459-02-9) is a chemical compound with molecular formula C7H3Br2NO2 and molecular weight 290.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dibromo-3H-1,3-benzoxazol-2-one
Also Known As: 2-BENZOXAZOLINONE, 5,7-DIBROMO-, 5,7-Dibromo-2-benzoxazolinone, 2(3H)-Benzoxazolone, 5,7-dibromo-, 5,7-Dibromobenzoxazol-2(3H)-one, 2-Benzoxazolinone,7-dibromo-
| Molecular Formula | C7H3Br2NO2 |
|---|---|
| Molecular Weight | 290.85 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 | 292.851 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5459-02-9 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=O)O2)Br)Br |
| InChIKey | AGSLHFQPWVSWHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 5,7-dibromo- (CAS 5459-02-9), with molecular formula C7H3Br2NO2 and molecular weight 290.85 g/mol. IUPAC: 5,7-dibromo-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 5,7-dibromo-
Property Insights of 2-Benzoxazolinone, 5,7-dibromo-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 5,7-dibromo-. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Benzoxazolinone, 5,7-dibromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 5,7-dibromo- 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 2-Benzoxazolinone, 5,7-dibromo-?
The CAS number of 2-Benzoxazolinone, 5,7-dibromo- is 5459-02-9.
What is the molecular formula of 2-Benzoxazolinone, 5,7-dibromo-?
The molecular formula of 2-Benzoxazolinone, 5,7-dibromo- is C7H3Br2NO2.
What is the molecular weight of 2-Benzoxazolinone, 5,7-dibromo-?
The molecular weight of 2-Benzoxazolinone, 5,7-dibromo- is 290.85 g/mol.
Where can I buy 2-Benzoxazolinone, 5,7-dibromo-?
You can request a quote for 2-Benzoxazolinone, 5,7-dibromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 5,7-dibromo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 5,7-dibromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.