(E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
TL;DR: (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 892617-97-9) is a chemical compound with molecular formula C16H15N3O8 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 6-hydroxy-5-[(2E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 6-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione, 6-hydroxy-5-[3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]-1,3-dimethyl-pyrimidine-2,4-dione
| Molecular Formula | C16H15N3O8 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 0.3081 |
| Topological Polar Surface Area | 153.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0859 |
| Heavy Atoms | 27 |
| Complexity | 1094.31 |
Chemical Identifiers
| CAS Number | 892617-97-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])O |
Product Overview
(E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 892617-97-9), with molecular formula C16H15N3O8 and molecular weight 377.09 g/mol. IUPAC: 6-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Property Insights of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.3081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. The TPSA of 153.9 Ų indicates high polarity, suggesting (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 8 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)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The CAS number of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 892617-97-9.
What is the molecular formula of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is C16H15N3O8.
What is the molecular weight of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 377.09 g/mol.
Where can I buy (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-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)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-hydroxy-5-(3-(4-hydroxy-3-methoxy-5-nitrophenyl)acryloyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.