![3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/859/859664-29-2.png)
3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 859664-29-2) is a chemical compound with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 7-methoxy-3-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-(2-methylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C15H17N3O2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 2.5424 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.13208 |
| Heavy Atoms | 20 |
| Complexity | 830.10767 |
Chemical Identifiers
| CAS Number | 859664-29-2 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C(C1=O)NC3=C2C=CC(=C3)OC |
Product Overview
3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 859664-29-2), with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol. IUPAC: 7-methoxy-3-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.5424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. With a topological polar surface area (TPSA) of 59.91 Ų, 3-isobutyl-7-methoxy-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, 3-isobutyl-7-methoxy-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 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 859664-29-2.
What is the molecular formula of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C15H17N3O2.
What is the molecular weight of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 271.13 g/mol.
Where can I buy 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-isobutyl-7-methoxy-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-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.