![(E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one structure](/static/products/714/714233-78-0.png)
(E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
TL;DR: (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one (CAS 714233-78-0) is a chemical compound with molecular formula C21H20F2N2O and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-10a-[(E)-2-(4-fluorophenyl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
Also Known As: (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one, 8-fluoro-10a-[(E)-2-(4-fluorophenyl)ethenyl]-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one, 8-fluoro-10a-[(E)-2-(4-fluorophenyl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
| Molecular Formula | C21H20F2N2O |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 3.992 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.15436 |
| Heavy Atoms | 26 |
| Complexity | 904.7271 |
Chemical Identifiers
| CAS Number | 714233-78-0 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)F)N3C1(NC(=O)CC3)/C=C/C4=CC=C(C=C4)F)C |
Product Overview
(E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one (CAS 714233-78-0), with molecular formula C21H20F2N2O and molecular weight 354.15 g/mol. IUPAC: 8-fluoro-10a-[(E)-2-(4-fluorophenyl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
Chemical Property Profile of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Property Insights of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
The XLogP value of 3.992 indicates that (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-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 (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one?
The CAS number of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is 714233-78-0.
What is the molecular formula of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one?
The molecular formula of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is C21H20F2N2O.
What is the molecular weight of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one?
The molecular weight of (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is 354.15 g/mol.
Where can I buy (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one?
You can request a quote for (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-fluoro-10a-(4-fluorostyryl)-10,10-dimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.