4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one
TL;DR: 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one (CAS 67170-43-8) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(prop-2-enyl)-5H-1,5-benzoxazepine-2,4-dione
Also Known As: 1,5-Benzoxazepine-2,4(3H,5H)-dione, 3,3-di(2-propenyl)-, 3,3-Di(2-propenyl)-1,5-benzoxazepine-2,4(3H,5H)-dione, 3,3-bis(prop-2-enyl)-5H-1,5-benzoxazepine-2,4-dione, 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one, RefChem:1070756
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.6827 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 499.0766 |
Chemical Identifiers
| CAS Number | 67170-43-8 |
|---|---|
| SMILES | C=CCC1(C(=O)NC2=CC=CC=C2OC1=O)CC=C |
Product Overview
4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one (CAS 67170-43-8), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 3,3-bis(prop-2-enyl)-5H-1,5-benzoxazepine-2,4-dione.
Chemical Property Profile of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one
Property Insights of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one
The XLogP value of 2.6827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-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 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one?
The CAS number of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one is 67170-43-8.
What is the molecular formula of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one?
The molecular formula of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one is C15H15NO3.
What is the molecular weight of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one?
The molecular weight of 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one is 257.11 g/mol.
Where can I buy 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one?
You can request a quote for 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3,3-di(prop-2-en-1-yl)-1,5-benzoxazepin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.