![8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/896/896827-87-5.png)
8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896827-87-5) is a chemical compound with molecular formula C15H16FN3O and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-5-methyl-3-(2-methylpropyl)pyrimido[5,4-b]indol-4-one
Also Known As: 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-fluoro-5-methyl-3-(2-methylpropyl)pyrimido[5,4-b]indol-4-one
| Molecular Formula | C15H16FN3O |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 2.6833 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.12775 |
| Heavy Atoms | 20 |
| Complexity | 860.7931 |
Chemical Identifiers
| CAS Number | 896827-87-5 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C(C1=O)N(C3=C2C=C(C=C3)F)C |
Product Overview
8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896827-87-5), with molecular formula C15H16FN3O and molecular weight 273.13 g/mol. IUPAC: 8-fluoro-5-methyl-3-(2-methylpropyl)pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.6833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. With a topological polar surface area (TPSA) of 39.82 Ų, 8-fluoro-3-isobutyl-5-methyl-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, 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 0 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 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 896827-87-5.
What is the molecular formula of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C15H16FN3O.
What is the molecular weight of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 273.13 g/mol.
Where can I buy 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 8-fluoro-3-isobutyl-5-methyl-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 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-fluoro-3-isobutyl-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.