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Decahydropyrimido[1,2-a]azepine
TL;DR: Decahydropyrimido[1,2-a]azepine (CAS 25739-48-4) is a chemical compound with molecular formula C9H18N2 and molecular weight 154.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,8,9,10,10a-decahydropyrimido[1,2-a]azepine
Also Known As: decahydropyrimido[1,2-a]azepine, Pyrimido[1,2-a]azepine, decahydro-, 1,8-diazabicyclo[5.4.0]undecane, decahydro-pyrimido[1,2-a]azepine, Pyrimido[1,2-a]azepine,decahydro-
| Molecular Formula | C9H18N2 |
|---|---|
| Molecular Weight | 154.15 g/mol |
| LogP | 1.1818 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.147 |
| Heavy Atoms | 11 |
| Complexity | 110.73114 |
Chemical Identifiers
| CAS Number | 25739-48-4 |
|---|---|
| SMILES | C1CCC2NCCCN2CC1 |
Product Overview
Decahydropyrimido[1,2-a]azepine (CAS 25739-48-4), with molecular formula C9H18N2 and molecular weight 154.15 g/mol. IUPAC: 1,2,3,4,6,7,8,9,10,10a-decahydropyrimido[1,2-a]azepine.
Chemical Property Profile of Decahydropyrimido[1,2-a]azepine
Property Insights of Decahydropyrimido[1,2-a]azepine
The XLogP value of 1.1818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decahydropyrimido[1,2-a]azepine. With a topological polar surface area (TPSA) of 15.27 Ų, Decahydropyrimido[1,2-a]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decahydropyrimido[1,2-a]azepine has 1 hydrogen bond donor(s) and 2 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 Decahydropyrimido[1,2-a]azepine?
The CAS number of Decahydropyrimido[1,2-a]azepine is 25739-48-4.
What is the molecular formula of Decahydropyrimido[1,2-a]azepine?
The molecular formula of Decahydropyrimido[1,2-a]azepine is C9H18N2.
What is the molecular weight of Decahydropyrimido[1,2-a]azepine?
The molecular weight of Decahydropyrimido[1,2-a]azepine is 154.15 g/mol.
Where can I buy Decahydropyrimido[1,2-a]azepine?
You can request a quote for Decahydropyrimido[1,2-a]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decahydropyrimido[1,2-a]azepine?
Yes, KEHONG BIO provides custom synthesis services for Decahydropyrimido[1,2-a]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.