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Octahydro-2H-pyrimido[1,2-a]pyrimidine
TL;DR: Octahydro-2H-pyrimido[1,2-a]pyrimidine (CAS 389623-48-7) is a chemical compound with molecular formula C7H15N3 and molecular weight 141.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,6,7,8,9,9a-octahydro-1H-pyrimido[1,2-a]pyrimidine
Also Known As: Octahydro-2H-pyrimido[1,2-a]pyrimidine, 1,5,7-triazabicyclo[4.4.0]decane, Octahydro-4H-pyrimido[1,2-a]pyrimidine, J1.721.656B, 2,3,4,6,7,8,9,9a-octahydro-1H-pyrimido[1,2-a]pyrimidine
| Molecular Formula | C7H15N3 |
|---|---|
| Molecular Weight | 141.13 g/mol |
| LogP | -0.4414 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.1266 |
| Heavy Atoms | 10 |
| Complexity | 89.418846 |
Chemical Identifiers
| CAS Number | 389623-48-7 |
|---|---|
| SMILES | C1CNC2NCCCN2C1 |
Product Overview
Octahydro-2H-pyrimido[1,2-a]pyrimidine (CAS 389623-48-7), with molecular formula C7H15N3 and molecular weight 141.13 g/mol. IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-pyrimido[1,2-a]pyrimidine.
Chemical Property Profile of Octahydro-2H-pyrimido[1,2-a]pyrimidine
Property Insights of Octahydro-2H-pyrimido[1,2-a]pyrimidine
The XLogP value of -0.4414 indicates that Octahydro-2H-pyrimido[1,2-a]pyrimidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.3 Ų, Octahydro-2H-pyrimido[1,2-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-2H-pyrimido[1,2-a]pyrimidine has 2 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 Octahydro-2H-pyrimido[1,2-a]pyrimidine?
The CAS number of Octahydro-2H-pyrimido[1,2-a]pyrimidine is 389623-48-7.
What is the molecular formula of Octahydro-2H-pyrimido[1,2-a]pyrimidine?
The molecular formula of Octahydro-2H-pyrimido[1,2-a]pyrimidine is C7H15N3.
What is the molecular weight of Octahydro-2H-pyrimido[1,2-a]pyrimidine?
The molecular weight of Octahydro-2H-pyrimido[1,2-a]pyrimidine is 141.13 g/mol.
Where can I buy Octahydro-2H-pyrimido[1,2-a]pyrimidine?
You can request a quote for Octahydro-2H-pyrimido[1,2-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-2H-pyrimido[1,2-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-2H-pyrimido[1,2-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.