![3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/896/896830-84-5.png)
3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896830-84-5) is a chemical compound with molecular formula C18H23FN4O3 and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[bis(2-hydroxyethyl)amino]propyl]-8-fluoro-5-methylpyrimido[5,4-b]indol-4-one
Also Known As: 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[3-[bis(2-hydroxyethyl)amino]propyl]-8-fluoro-5-methylpyrimido[5,4-b]indol-4-one, 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-fluoro-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-{3-[Bis-(2-hydroxy-ethyl)-amino]-propyl}-8-fluoro-5-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H23FN4O3 |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | 0.704 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.1754 |
| Heavy Atoms | 26 |
| Complexity | 960.3651 |
Chemical Identifiers
| CAS Number | 896830-84-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CCCN(CCO)CCO |
Product Overview
3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896830-84-5), with molecular formula C18H23FN4O3 and molecular weight 362.18 g/mol. IUPAC: 3-[3-[bis(2-hydroxyethyl)amino]propyl]-8-fluoro-5-methylpyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 0.704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 2 hydrogen bond donor(s) and 5 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-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 896830-84-5.
What is the molecular formula of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C18H23FN4O3.
What is the molecular weight of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 362.18 g/mol.
Where can I buy 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-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-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-fluoro-5-methyl-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.