![1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one structure](/static/products/879/879758-40-4.png)
1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
TL;DR: 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879758-40-4) is a chemical compound with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-6-butyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-benzyl-6-butyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione, 5-benzyl-9-butyl-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-ene-2,4-dione, 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 1-benzyl-6-butyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-BENZYL-6-BUTYL-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE
| Molecular Formula | C17H22N4O2 |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 1.57 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1743 |
| Heavy Atoms | 23 |
| Complexity | 779.4158 |
Chemical Identifiers
| CAS Number | 879758-40-4 |
|---|---|
| SMILES | CCCCN1CC2=C(NC1)N(C(=O)NC2=O)CC3=CC=CC=C3 |
Product Overview
1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879758-40-4), with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol. IUPAC: 1-benzyl-6-butyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Property Insights of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
The XLogP value of 1.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one 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-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The CAS number of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 879758-40-4.
What is the molecular formula of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular formula of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one is C17H22N4O2.
What is the molecular weight of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular weight of 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 314.17 g/mol.
Where can I buy 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
You can request a quote for 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.