![5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one structure](/static/products/5016/501689-39-0.webp)
5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one
TL;DR: 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one (CAS 501689-39-0) is a chemical compound with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-ethyl-1,3-benzoxazol-2-one
Also Known As: 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one, 5-bromo-3-ethyl-3H-benzooxazol-2-one, 5-bromo-3-ethyl-1,3-benzoxazol-2-one, 5-Bromo-3-ethyl-1,3-benzoxazol-2(3H)-one, A1-12675
| Molecular Formula | C9H8BrNO2 |
|---|---|
| Molecular Weight | 240.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.97385 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 501689-39-0 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)Br)OC1=O |
| InChIKey | YFXOUBTUTSXARF-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one (CAS 501689-39-0), with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol. IUPAC: 5-bromo-3-ethyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one
Property Insights of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one has 0 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 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one?
The CAS number of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one is 501689-39-0.
What is the molecular formula of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one?
The molecular formula of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one is C9H8BrNO2.
What is the molecular weight of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one?
The molecular weight of 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one is 240.97 g/mol.
Where can I buy 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one?
You can request a quote for 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-ethylbenzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.