![1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one structure](/static/products/1844/18440-63-6.webp)
1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one
TL;DR: 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one (CAS 18440-63-6) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,10b-tetrahydro-1H-pyrimido[1,2-b]isoindol-6-one
Also Known As: Maybridge1_002584, 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one, DivK1c_001336, 2,3,4,10b-tetrahydro-1H-pyrimido[1,2-b]isoindol-6-one, 1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 18440-63-6 |
|---|---|
| SMILES | C1CNC2C3=CC=CC=C3C(=O)N2C1 |
| InChIKey | DXGVYOBWYCCQDX-UHFFFAOYSA-N |
Product Overview
1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one (CAS 18440-63-6), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 2,3,4,10b-tetrahydro-1H-pyrimido[1,2-b]isoindol-6-one.
Chemical Property Profile of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one
Property Insights of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-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 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one?
The CAS number of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one is 18440-63-6.
What is the molecular formula of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one?
The molecular formula of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one is C11H12N2O.
What is the molecular weight of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one?
The molecular weight of 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one is 188.09 g/mol.
Where can I buy 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one?
You can request a quote for 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-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 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.