![3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/896/896598-88-2.png)
3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896598-88-2) is a chemical compound with molecular formula C18H22N4O and molecular weight 310.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-ethylpyrrolidin-2-yl)methyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(1-ethylpyrrolidin-2-yl)methyl]-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[(1-ethylpyrrolidin-2-yl)methyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H22N4O |
|---|---|
| Molecular Weight | 310.18 g/mol |
| LogP | 2.67052 |
| Topological Polar Surface Area | 53.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.17935 |
| Heavy Atoms | 23 |
| Complexity | 923.8024 |
Chemical Identifiers
| CAS Number | 896598-88-2 |
|---|---|
| SMILES | CCN1CCCC1CN2C=NC3=C(C2=O)NC4=C3C=CC(=C4)C |
Product Overview
3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896598-88-2), with molecular formula C18H22N4O and molecular weight 310.18 g/mol. IUPAC: 3-[(1-ethylpyrrolidin-2-yl)methyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.67052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. With a topological polar surface area (TPSA) of 53.92 Ų, 3-((1-ethylpyrrolidin-2-yl)methyl)-7-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, 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-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-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 896598-88-2.
What is the molecular formula of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H22N4O.
What is the molecular weight of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 310.18 g/mol.
Where can I buy 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-((1-ethylpyrrolidin-2-yl)methyl)-7-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 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((1-ethylpyrrolidin-2-yl)methyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.