2(3H)-Benzoxazolone, 3-ethyl-
TL;DR: 2(3H)-Benzoxazolone, 3-ethyl- (CAS 30741-06-1) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,3-benzoxazol-2-one
Also Known As: N-Ethylbenzoxazolone, 3-Ethyl-2-benzoxazolone, 2(3H)-Benzoxazolone, 3-ethyl-, 3-Ethyl-2-benzoxazolinone, 3-Ethylbenzoxazol-2(3H)-one
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 30741-06-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=O |
| InChIKey | CQEWMIYTLWJAAY-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzoxazolone, 3-ethyl- (CAS 30741-06-1), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 3-ethyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-ethyl-
Property Insights of 2(3H)-Benzoxazolone, 3-ethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-ethyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2(3H)-Benzoxazolone, 3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 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(3H)-Benzoxazolone, 3-ethyl-?
The CAS number of 2(3H)-Benzoxazolone, 3-ethyl- is 30741-06-1.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-ethyl-?
The molecular formula of 2(3H)-Benzoxazolone, 3-ethyl- is C9H9NO2.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-ethyl-?
The molecular weight of 2(3H)-Benzoxazolone, 3-ethyl- is 163.06 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-ethyl-?
You can request a quote for 2(3H)-Benzoxazolone, 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(3H)-Benzoxazolone, 3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.