(E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid
TL;DR: (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid (CAS 375361-11-8) is a chemical compound with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]prop-2-enoic acid
Also Known As: (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid, (2E)-3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl]acrylic acid, (2E)-3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl]prop-2-enoic acid, (E)-3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]prop-2-enoic acid, (2E)-3-[3-(2,6-DIMETHYL-4-OXO-5-PHENYL-1,4-DIHYDROPYRIMIDIN-1-YL)PHENYL]PROP-2-ENOIC ACID
| Molecular Formula | C21H18N2O3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.13174 |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 375361-11-8 |
|---|---|
| SMILES | CC1=C(C(=O)N=C(N1C2=CC=CC(=C2)/C=C/C(=O)O)C)C3=CC=CC=C3 |
| InChIKey | LANYIAFGUJOXJZ-VAWYXSNFSA-N |
Product Overview
(E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid (CAS 375361-11-8), with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol. IUPAC: (E)-3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid
Property Insights of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid
The XLogP value of 3.0 indicates that (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid 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 (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid?
The CAS number of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid is 375361-11-8.
What is the molecular formula of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid?
The molecular formula of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid is C21H18N2O3.
What is the molecular weight of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid?
The molecular weight of (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid is 346.13 g/mol.
Where can I buy (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid?
You can request a quote for (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.