2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one
TL;DR: 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one (CAS 24033-98-5) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-oxa-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one
Also Known As: methyl[?]one, 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one, 2-methyl-3,6,7,8,9,10-hexahydro-2H-furo[3,4]pyrimido[4,5-a]a, 2-methyl-3,6,7,8,9,10-hexahydro-2H-furo[3,4]pyrimido[4,5-a]azepin-4-one, 2-Methyl-3,6,7,8,9,10-hexahydrofuro[2',3':4,5]pyrimido[1,2-a]azepin-4(2H)-one
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 24033-98-5 |
|---|---|
| SMILES | CC1CC2=C(O1)N=C3CCCCCN3C2=O |
| InChIKey | BMXGSPKVISIJSD-UHFFFAOYSA-N |
Product Overview
2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one (CAS 24033-98-5), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 5-methyl-6-oxa-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one.
Chemical Property Profile of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one
Property Insights of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one. With a topological polar surface area (TPSA) of 41.9 Ų, 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one has 0 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 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one?
The CAS number of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one is 24033-98-5.
What is the molecular formula of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one?
The molecular formula of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one is C12H16N2O2.
What is the molecular weight of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one?
The molecular weight of 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one is 220.12 g/mol.
Where can I buy 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one?
You can request a quote for 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3,6,7,8,9,10-hexahydrofuro(2',3':4,5)pyrimido(1,2-a)azepin-4(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.