3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
TL;DR: 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione (CAS 73680-95-2) is a chemical compound with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-1-benzyl-5-isopropyl barbituric acid, 5-24-09-00225 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ALLYL-1-BENZYL-5-ISOPROPYL-, 5-Allyl-1-benzyl-5-isopropylbarbituric acid, 5-allyl-1-benzyl-5-isopropyl-barbituric acid
| Molecular Formula | C17H20N2O3 |
|---|---|
| Molecular Weight | 300.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.1474 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 73680-95-2 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CC=C |
| InChIKey | UTBDPHLYKXFUAA-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione (CAS 73680-95-2), with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol. IUPAC: 1-benzyl-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Property Insights of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione 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 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione?
The CAS number of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione is 73680-95-2.
What is the molecular formula of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione is C17H20N2O3.
What is the molecular weight of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione is 300.15 g/mol.
Where can I buy 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione?
You can request a quote for 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.