4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid
TL;DR: 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid (CAS 126959-78-2) is a chemical compound with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-1,4-benzoxazin-3-yl]ethenyl]phenyl]prop-2-enoic acid
Also Known As: 4-BVC, 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid, (E)-3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-1,4-benzoxazin-3-yl]ethenyl]phenyl]prop-2-enoic acid, 2-Propenoic acid, 3-(4-(2-(7-(dimethylamino)-2-oxo-2H-1,4-benzoxazin-3-yl)ethenyl)phenyl)-
| Molecular Formula | C21H18N2O4 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 3.5222 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12665 |
| Heavy Atoms | 27 |
| Complexity | 1093.3599 |
Chemical Identifiers
| CAS Number | 126959-78-2 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)N=C(C(=O)O2)/C=C/C3=CC=C(C=C3)/C=C/C(=O)O |
Product Overview
4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid (CAS 126959-78-2), with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol. IUPAC: (E)-3-[4-[(E)-2-[7-(dimethylamino)-2-oxo-1,4-benzoxazin-3-yl]ethenyl]phenyl]prop-2-enoic acid.
Chemical Property Profile of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid
Property Insights of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid
The XLogP value of 3.5222 indicates that 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid. Following Lipinski's Rule of Five, 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid has 1 hydrogen bond donor(s) and 5 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-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid?
The CAS number of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid is 126959-78-2.
What is the molecular formula of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid?
The molecular formula of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid is C21H18N2O4.
What is the molecular weight of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid?
The molecular weight of 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid is 362.13 g/mol.
Where can I buy 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid?
You can request a quote for 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(beta-(7-Dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.