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8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
TL;DR: 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one (CAS 21603-68-9) is a chemical compound with molecular formula C8H14N2O and molecular weight 154.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
Also Known As: 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one, 8a-Methyl-hexahydro-pyrrolo[1,2-a]pyrimidin-6-one, BAS 11409588, 8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one, 8a-methyl-octahydropyrrolo[1,2-a]pyrimidin-6-one
| Molecular Formula | C8H14N2O |
|---|---|
| Molecular Weight | 154.11 g/mol |
| LogP | 0.3183 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.11061 |
| Heavy Atoms | 11 |
| Complexity | 192.53108 |
Chemical Identifiers
| CAS Number | 21603-68-9 |
|---|---|
| SMILES | CC12CCC(=O)N1CCCN2 |
Product Overview
8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one (CAS 21603-68-9), with molecular formula C8H14N2O and molecular weight 154.11 g/mol. IUPAC: 8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one.
Chemical Property Profile of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
Property Insights of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
The XLogP value of 0.3183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one. With a topological polar surface area (TPSA) of 32.34 Ų, 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-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 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one?
The CAS number of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one is 21603-68-9.
What is the molecular formula of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one?
The molecular formula of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one is C8H14N2O.
What is the molecular weight of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one?
The molecular weight of 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one is 154.11 g/mol.
Where can I buy 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one?
You can request a quote for 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.