(E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 892617-92-4) is a chemical compound with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-(4-chlorophenyl)-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxypyrimidine-2,4-dione, 3-(4-chlorophenyl)-5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,6-dihydroxypyrimidin-4(3H)-one
| Molecular Formula | C21H17ClN2O6 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 2.7981 |
| Topological Polar Surface Area | 110.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.0775 |
| Heavy Atoms | 30 |
| Complexity | 1241.8319 |
Chemical Identifiers
| CAS Number | 892617-92-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O)OC |
Product Overview
(E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 892617-92-4), with molecular formula C21H17ClN2O6 and molecular weight 428.08 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.7981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 110.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 892617-92-4.
What is the molecular formula of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C21H17ClN2O6.
What is the molecular weight of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 428.08 g/mol.
Where can I buy (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chlorophenyl)-5-(3-(3,4-dimethoxyphenyl)acryloyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.