3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
TL;DR: 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno (CAS 88491-54-7) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazolin-12-one
Also Known As: 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno, Azepino[2,1-b]quinazolin-12(2H)-one, 1,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazolin-12-one, 1,2,3,4,7,8,9,10-Octahydroazepino[2,1-b]quinazolin-12(6H)-one, 1,3,4,6,7,8,9,10-Octahydro-2H-azepino[2,1-b]quinazolin-12-one
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 88491-54-7 |
|---|---|
| SMILES | C1CCC2=NC3=C(CCCC3)C(=O)N2CC1 |
| InChIKey | QFNBTCDQRILBND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno (CAS 88491-54-7), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazolin-12-one.
Chemical Property Profile of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
Property Insights of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno. With a topological polar surface area (TPSA) of 32.7 Ų, 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno has 0 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 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno?
The CAS number of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno is 88491-54-7.
What is the molecular formula of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno?
The molecular formula of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno is C13H18N2O.
What is the molecular weight of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno?
The molecular weight of 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno is 218.14 g/mol.
Where can I buy 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno?
You can request a quote for 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.