5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione (CAS 353277-52-8) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-1-octan-2-ylpyrimidine-2,4-dione
Also Known As: 5-acetyl-1-octan-2-ylpyrimidine-2,4-dione, 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione, AJ-030/12105154
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 2.2706 |
| Topological Polar Surface Area | 71.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 542.3574 |
Chemical Identifiers
| CAS Number | 353277-52-8 |
|---|---|
| SMILES | CCCCCCC(C)N1C=C(C(=O)NC1=O)C(=O)C |
Product Overview
5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione (CAS 353277-52-8), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: 5-acetyl-1-octan-2-ylpyrimidine-2,4-dione.
Chemical Property Profile of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of 2.2706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione. The TPSA of 71.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione 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 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione is 353277-52-8.
What is the molecular formula of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione is C14H22N2O3.
What is the molecular weight of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione is 266.16 g/mol.
Where can I buy 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.