![4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane structure](/static/products/675/675591-29-4.png)
4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane
TL;DR: 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane (CAS 675591-29-4) is a chemical compound with molecular formula C9H12N4 and molecular weight 176.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane
Also Known As: 4-pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane, 4-(Pyrimidin-5-yl)-1,4-diazabicyclo[3.1.1]heptane, 3-bromo-5-(2-(trifluoromethyl)phenyl)pyridine, 1,4-Diazabicyclo[3.1.1]heptane, 4-(5-pyrimidinyl)-, 1,4-Diazabicyclo[3.1.1]heptane, 4-(5-pyrimidinyl)- (9CI)
| Molecular Formula | C9H12N4 |
|---|---|
| Molecular Weight | 176.11 g/mol |
| LogP | -0.0192 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.1062 |
| Heavy Atoms | 13 |
| Complexity | 290.98795 |
Chemical Identifiers
| CAS Number | 675591-29-4 |
|---|---|
| SMILES | C1CN(C2CN1C2)C3=CN=CN=C3 |
Product Overview
4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane (CAS 675591-29-4), with molecular formula C9H12N4 and molecular weight 176.11 g/mol. IUPAC: 4-pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane.
Chemical Property Profile of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane
Property Insights of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane
The XLogP value of -0.0192 indicates that 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.26 Ų, 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane 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 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane?
The CAS number of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane is 675591-29-4.
What is the molecular formula of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane?
The molecular formula of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane is C9H12N4.
What is the molecular weight of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane?
The molecular weight of 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane is 176.11 g/mol.
Where can I buy 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane?
You can request a quote for 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidin-5-yl-1,4-diazabicyclo[3.1.1]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.