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Octahydro-pyrazino[1,2-a]azepin-1-one
TL;DR: Octahydro-pyrazino[1,2-a]azepin-1-one (CAS 21550-84-5) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6,7,8,9,10,10a-octahydro-2H-pyrazino[1,2-a]azepin-1-one
Also Known As: Octahydro-pyrazino[1,2-a]azepin-1-one, Octahydropyrazino[1,2-a]azepin-1(2H)-one, BAS 01217261, decahydropiperazino[1,2-a]azepin-1-one, 1,9-diazabicyclo[5.4.0]undecan-8-one
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 0.3608 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 181.36736 |
Chemical Identifiers
| CAS Number | 21550-84-5 |
|---|---|
| SMILES | C1CCC2C(=O)NCCN2CC1 |
Product Overview
Octahydro-pyrazino[1,2-a]azepin-1-one (CAS 21550-84-5), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: 3,4,6,7,8,9,10,10a-octahydro-2H-pyrazino[1,2-a]azepin-1-one.
Chemical Property Profile of Octahydro-pyrazino[1,2-a]azepin-1-one
Property Insights of Octahydro-pyrazino[1,2-a]azepin-1-one
The XLogP value of 0.3608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-pyrazino[1,2-a]azepin-1-one. With a topological polar surface area (TPSA) of 32.34 Ų, Octahydro-pyrazino[1,2-a]azepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-pyrazino[1,2-a]azepin-1-one 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 Octahydro-pyrazino[1,2-a]azepin-1-one?
The CAS number of Octahydro-pyrazino[1,2-a]azepin-1-one is 21550-84-5.
What is the molecular formula of Octahydro-pyrazino[1,2-a]azepin-1-one?
The molecular formula of Octahydro-pyrazino[1,2-a]azepin-1-one is C9H16N2O.
What is the molecular weight of Octahydro-pyrazino[1,2-a]azepin-1-one?
The molecular weight of Octahydro-pyrazino[1,2-a]azepin-1-one is 168.13 g/mol.
Where can I buy Octahydro-pyrazino[1,2-a]azepin-1-one?
You can request a quote for Octahydro-pyrazino[1,2-a]azepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-pyrazino[1,2-a]azepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-pyrazino[1,2-a]azepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.