2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- (CAS 88235-11-4) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxopent-1-enyl)-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-, 3-(3-oxopent-1-enyl)benzooxazol-2-one, 3-(3-oxopent-1-enyl)-1,3-benzoxazol-2-one, 3-(3-Oxopent-1-en-1-yl)-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.0443 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 603.9966 |
Chemical Identifiers
| CAS Number | 88235-11-4 |
|---|---|
| SMILES | CCC(=O)C=CN1C2=CC=CC=C2OC1=O |
Product Overview
2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- (CAS 88235-11-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 3-(3-oxopent-1-enyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-
The XLogP value of 2.0443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-. With a topological polar surface area (TPSA) of 52.21 Ų, 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- has 0 hydrogen bond donor(s) and 3 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-(3-oxo-1-pentenyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- is 88235-11-4.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- is C12H11NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- is 217.07 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- 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-(3-oxo-1-pentenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-(3-oxo-1-pentenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.