2-Benzoxazolinone, 5-chloro-3-ethyl-
TL;DR: 2-Benzoxazolinone, 5-chloro-3-ethyl- (CAS 5790-91-0) is a chemical compound with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-ethyl-1,3-benzoxazol-2-one
Also Known As: 5-Chloro-3-ethyl-2-benzoxazolinone, 2-BENZOXAZOLINONE, 5-CHLORO-3-ETHYL-, 5-chloro-3-ethyl-1,3-benzoxazol-2-one, 5-Chloro-3-ethylbenzoxazol-2 -one, 2(3H)-Benzoxazolone, 5-chloro-3-ethyl-
| Molecular Formula | C9H8ClNO2 |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.02435 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5790-91-0 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | NGNSUTIRTDXXGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 5-chloro-3-ethyl- (CAS 5790-91-0), with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol. IUPAC: 5-chloro-3-ethyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 5-chloro-3-ethyl-
Property Insights of 2-Benzoxazolinone, 5-chloro-3-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 5-chloro-3-ethyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Benzoxazolinone, 5-chloro-3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 5-chloro-3-ethyl- 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 2-Benzoxazolinone, 5-chloro-3-ethyl-?
The CAS number of 2-Benzoxazolinone, 5-chloro-3-ethyl- is 5790-91-0.
What is the molecular formula of 2-Benzoxazolinone, 5-chloro-3-ethyl-?
The molecular formula of 2-Benzoxazolinone, 5-chloro-3-ethyl- is C9H8ClNO2.
What is the molecular weight of 2-Benzoxazolinone, 5-chloro-3-ethyl-?
The molecular weight of 2-Benzoxazolinone, 5-chloro-3-ethyl- is 197.02 g/mol.
Where can I buy 2-Benzoxazolinone, 5-chloro-3-ethyl-?
You can request a quote for 2-Benzoxazolinone, 5-chloro-3-ethyl- 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-chloro-3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 5-chloro-3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.