![1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone structure](/static/products/4390/439094-07-2.webp)
1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
TL;DR: 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone (CAS 439094-07-2) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-methoxyphenyl)-2,1-benzoxazol-5-yl]ethanone
Also Known As: 1-[3-(4-methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone, 1-[3-(4-methoxyphenyl)-2,1-benzoxazol-5-yl]ethan-1-one, 1-[3-(4-methoxyphenyl)-2,1-benzoxazol-5-yl]ethanone, 1-3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl-1-ethanone, 1-[3-[4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.706 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 772.02124 |
Chemical Identifiers
| CAS Number | 439094-07-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)OC |
Product Overview
1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone (CAS 439094-07-2), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 1-[3-(4-methoxyphenyl)-2,1-benzoxazol-5-yl]ethanone.
Chemical Property Profile of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
Property Insights of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
The XLogP value of 3.706 indicates that 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone has 0 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 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone?
The CAS number of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone is 439094-07-2.
What is the molecular formula of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone?
The molecular formula of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone is C16H13NO3.
What is the molecular weight of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone?
The molecular weight of 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone is 267.09 g/mol.
Where can I buy 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone?
You can request a quote for 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.