RefChem:1065128
TL;DR: RefChem:1065128 (CAS 123172-58-7) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
Also Known As: 2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-(1-oxo-3-phenyl-2-propenyl)-2,2,4-trimethyl-, (E)-, (E)-7-(1-Oxo-3-phenyl-2-propenyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3(4H)-one, (E)-7-(1-Oxo-3-phenyl-2-propenyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3( 4H)-one, 3-phenyl-2-(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-7-yl)prop-2
| Molecular Formula | C20H19NO3 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 3.7165 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1365 |
| Heavy Atoms | 24 |
| Complexity | 822.03253 |
Chemical Identifiers
| CAS Number | 123172-58-7 |
|---|---|
| SMILES | CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)C)C |
Product Overview
RefChem:1065128 (CAS 123172-58-7), with molecular formula C20H19NO3 and molecular weight 321.14 g/mol. IUPAC: 2,2,4-trimethyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one.
Chemical Property Profile of RefChem:1065128
Property Insights of RefChem:1065128
The XLogP value of 3.7165 indicates that RefChem:1065128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, RefChem:1065128 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065128 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 RefChem:1065128?
The CAS number of RefChem:1065128 is 123172-58-7.
What is the molecular formula of RefChem:1065128?
The molecular formula of RefChem:1065128 is C20H19NO3.
What is the molecular weight of RefChem:1065128?
The molecular weight of RefChem:1065128 is 321.14 g/mol.
Where can I buy RefChem:1065128?
You can request a quote for RefChem:1065128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065128?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.