![7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/861/861119-70-2.png)
7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 861119-70-2) is a chemical compound with molecular formula C19H14F3N3O2 and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-[2-(trifluoromethyl)benzyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H14F3N3O2 |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.9535 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.10382 |
| Heavy Atoms | 27 |
| Complexity | 1208.487 |
Chemical Identifiers
| CAS Number | 861119-70-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC=CC=C4C(F)(F)F |
Product Overview
7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 861119-70-2), with molecular formula C19H14F3N3O2 and molecular weight 373.10 g/mol. IUPAC: 7-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.9535 indicates that 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 861119-70-2.
What is the molecular formula of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H14F3N3O2.
What is the molecular weight of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 373.10 g/mol.
Where can I buy 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-3-(2-(trifluoromethyl)benzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.