1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 575462-23-6) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptanoyl-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-heptanoyl-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione, 5-heptanoyl-4,6-dihydroxy-1-(prop-2-en-1-yl)pyrimidin-2(1H)-one
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 575462-23-6 |
|---|---|
| SMILES | CCCCCCC(=O)C1=C(N(C(=O)NC1=O)CC=C)O |
| InChIKey | LDJJIVRJQPUXJG-UHFFFAOYSA-N |
Product Overview
1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 575462-23-6), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: 5-heptanoyl-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 4 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 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione is 575462-23-6.
What is the molecular formula of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione is C14H20N2O4.
What is the molecular weight of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione is 280.14 g/mol.
Where can I buy 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-allyl-5-heptanoyl-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 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.