6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
TL;DR: 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 1164553-54-1) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-3-phenylprop-2-enoyl]-4H-1,4-benzoxazin-3-one
Also Known As: 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-cinnamoyl-2H-1,4-benzoxazin-3(4H)-one, 6-[(E)-3-phenylprop-2-enoyl]-4H-1,4-benzoxazin-3-one, AN-829/40406060, 6-[(2E)-3-phenylprop-2-enoyl]-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.9136 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 720.07 |
Chemical Identifiers
| CAS Number | 1164553-54-1 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC=CC=C3 |
Product Overview
6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 1164553-54-1), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 6-[(E)-3-phenylprop-2-enoyl]-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Property Insights of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
The XLogP value of 2.9136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one. With a topological polar surface area (TPSA) of 55.4 Ų, 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one has 1 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 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The CAS number of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is 1164553-54-1.
What is the molecular formula of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular formula of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is C17H13NO3.
What is the molecular weight of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular weight of 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one is 279.09 g/mol.
Where can I buy 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
You can request a quote for 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.