2-Benzoxazolinone, 3-(2-propynyl)-
TL;DR: 2-Benzoxazolinone, 3-(2-propynyl)- (CAS 19420-41-8) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynyl-1,3-benzoxazol-2-one
Also Known As: 3-(2-Propynyl)-2-benzoxazolinone, 3-prop-2-ynylbenzooxazol-2-one, 3-prop-2-ynyl-1,3-benzoxazol-2-one, 2-BENZOXAZOLINONE, 3-(2-PROPYNYL)-, 3-(2-Propynyl)benzoxazol-2(3H)-one
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 19420-41-8 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2OC1=O |
| InChIKey | BMKFKTFCOJPUGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 3-(2-propynyl)- (CAS 19420-41-8), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: 3-prop-2-ynyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 3-(2-propynyl)-
Property Insights of 2-Benzoxazolinone, 3-(2-propynyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 3-(2-propynyl)-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Benzoxazolinone, 3-(2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-(2-propynyl)- 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, 3-(2-propynyl)-?
The CAS number of 2-Benzoxazolinone, 3-(2-propynyl)- is 19420-41-8.
What is the molecular formula of 2-Benzoxazolinone, 3-(2-propynyl)-?
The molecular formula of 2-Benzoxazolinone, 3-(2-propynyl)- is C10H7NO2.
What is the molecular weight of 2-Benzoxazolinone, 3-(2-propynyl)-?
The molecular weight of 2-Benzoxazolinone, 3-(2-propynyl)- is 173.05 g/mol.
Where can I buy 2-Benzoxazolinone, 3-(2-propynyl)-?
You can request a quote for 2-Benzoxazolinone, 3-(2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 3-(2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 3-(2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.