![4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- structure](/static/products/7821/78214-15-0.webp)
4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-
TL;DR: 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- (CAS 78214-15-0) is a chemical compound with molecular formula C18H13NO3 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-hydroxyphenyl)buta-1,3-dienyl]-3,1-benzoxazin-4-one
Also Known As: 2-[4-1,3-butadienyl]-4h-3,1-benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)buta-1,3-dien-1-yl]-4H-3,1-benzoxazin-4-one, 4H-3,1-Benzoxazin-4-one, 2-(4-(4-hydroxyphenyl)-1,3-butadienyl)-, 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-
| Molecular Formula | C18H13NO3 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.08954 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 78214-15-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C=CC=CC3=CC=C(C=C3)O |
| InChIKey | ASJBOIQMTVOWBG-UHFFFAOYSA-N |
Product Overview
4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- (CAS 78214-15-0), with molecular formula C18H13NO3 and molecular weight 291.09 g/mol. IUPAC: 2-[4-(4-hydroxyphenyl)buta-1,3-dienyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-
Property Insights of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-
The XLogP value of 3.6 indicates that 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- has 1 hydrogen bond donor(s) and 4 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 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-?
The CAS number of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- is 78214-15-0.
What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-?
The molecular formula of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- is C18H13NO3.
What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-?
The molecular weight of 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- is 291.09 g/mol.
Where can I buy 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-?
You can request a quote for 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 2-[4-(4-hydroxyphenyl)-1,3-butadienyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.