2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile
TL;DR: 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile (CAS 23866-12-8) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile
Also Known As: 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile, 3-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanenitrile, 3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile, 4H-1,4-Benzoxazine-4-propanenitrile,2,3-dihydro-3-oxo-, 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanenitrile
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.32568 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 422.84125 |
Chemical Identifiers
| CAS Number | 23866-12-8 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2O1)CCC#N |
Product Overview
2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile (CAS 23866-12-8), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 3-(3-oxo-1,4-benzoxazin-4-yl)propanenitrile.
Chemical Property Profile of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile
Property Insights of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile
The XLogP value of 1.32568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile. With a topological polar surface area (TPSA) of 53.33 Ų, 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile 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 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile?
The CAS number of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile is 23866-12-8.
What is the molecular formula of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile?
The molecular formula of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile is C11H10N2O2.
What is the molecular weight of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile?
The molecular weight of 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile is 202.07 g/mol.
Where can I buy 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile?
You can request a quote for 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.