![8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/899/899384-86-2.png)
8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 899384-86-2) is a chemical compound with molecular formula C15H16ClN3O and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 8-chloro-3-isopentyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-chloro-3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one, 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C15H16ClN3O |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 3.5773 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.09818 |
| Heavy Atoms | 20 |
| Complexity | 832.10767 |
Chemical Identifiers
| CAS Number | 899384-86-2 |
|---|---|
| SMILES | CC(C)CCN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)Cl |
Product Overview
8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 899384-86-2), with molecular formula C15H16ClN3O and molecular weight 289.10 g/mol. IUPAC: 8-chloro-3-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.5773 indicates that 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 8-chloro-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, 8-chloro-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 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 899384-86-2.
What is the molecular formula of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C15H16ClN3O.
What is the molecular weight of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 289.10 g/mol.
Where can I buy 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 8-chloro-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 8-chloro-3-(3-methylbutyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-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.