1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
TL;DR: 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one (CAS 5983-52-8) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10b-phenyl-1,2,3,4-tetrahydropyrimido[2,1-a]isoindol-6-one
Also Known As: Thiazoloisoindol-5-one deriv. 37, 10B-phenyl-1,3,4,10b-tetrahydropyrimido[2,1-a]isoindol-6(2H)-one, Pyrimidoloisoindol-6-one, Ph deriv., BAS 10320875, 10b-phenyl-1,2,3,4-tetrahydropyrimido[2,1-a]isoindol-6-one
| Molecular Formula | C17H16N2O |
|---|---|
| Molecular Weight | 264.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.12625 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 5983-52-8 |
|---|---|
| SMILES | C1CNC2(C3=CC=CC=C3C(=O)N2C1)C4=CC=CC=C4 |
| InChIKey | PJMQDIXGYNLHIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one (CAS 5983-52-8), with molecular formula C17H16N2O and molecular weight 264.13 g/mol. IUPAC: 10b-phenyl-1,2,3,4-tetrahydropyrimido[2,1-a]isoindol-6-one.
Chemical Property Profile of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
Property Insights of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-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 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one?
The CAS number of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one is 5983-52-8.
What is the molecular formula of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one?
The molecular formula of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one is C17H16N2O.
What is the molecular weight of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one?
The molecular weight of 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one is 264.13 g/mol.
Where can I buy 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one?
You can request a quote for 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.