1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione
TL;DR: 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione (CAS 101289-49-0) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Also Known As: 1,3-DIACETYL-5-ETHYL-5-PHENYLHEXAHYDROPYRIMIDINE-4,6-DIONE, 1,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione, 1,3-diacetyl-5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dione, 665-424-6, RefChem:414221
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.0557 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 606.8057 |
Chemical Identifiers
| CAS Number | 101289-49-0 |
|---|---|
| SMILES | CCC1(C(=O)N(CN(C1=O)C(=O)C)C(=O)C)C2=CC=CC=C2 |
Product Overview
1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione (CAS 101289-49-0), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 1,3-diacetyl-5-ethyl-5-phenyl-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione
Property Insights of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione
The XLogP value of 1.0557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione. Following Lipinski's Rule of Five, 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione has 0 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 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione?
The CAS number of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione is 101289-49-0.
What is the molecular formula of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione?
The molecular formula of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione is C16H18N2O4.
What is the molecular weight of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione?
The molecular weight of 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione is 302.13 g/mol.
Where can I buy 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione?
You can request a quote for 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diacetyl-5-ethyl-5-phenylhexahydropyrimidine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.