![3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/896/896823-75-9.png)
3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896823-75-9) is a chemical compound with molecular formula C15H17N3O and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one, 3-isopentyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C15H17N3O |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 2.9239 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.13716 |
| Heavy Atoms | 19 |
| Complexity | 782.78107 |
Chemical Identifiers
| CAS Number | 896823-75-9 |
|---|---|
| SMILES | CC(C)CCN1C=NC2=C(C1=O)NC3=CC=CC=C32 |
Product Overview
3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896823-75-9), with molecular formula C15H17N3O and molecular weight 255.14 g/mol. IUPAC: 3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.9239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-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 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 896823-75-9.
What is the molecular formula of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C15H17N3O.
What is the molecular weight of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 255.14 g/mol.
Where can I buy 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-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-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.