![3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/835/835907-61-4.png)
3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 835907-61-4) is a chemical compound with molecular formula C20H18FN3O3 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one, F6548-0407, 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H18FN3O3 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 3.2768 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1332 |
| Heavy Atoms | 27 |
| Complexity | 1196.4852 |
Chemical Identifiers
| CAS Number | 835907-61-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC |
Product Overview
3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 835907-61-4), with molecular formula C20H18FN3O3 and molecular weight 367.13 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.2768 indicates that 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 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 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is 835907-61-4.
What is the molecular formula of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H18FN3O3.
What is the molecular weight of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is 367.13 g/mol.
Where can I buy 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3,4-dimethoxyphenethyl)-8-fluoro-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 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenethyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.