![3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/896/896804-28-7.png)
3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896804-28-7) is a chemical compound with molecular formula C18H24N4O3 and molecular weight 344.18 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-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[3-[bis(2-hydroxyethyl)amino]propyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-{3-[bis(2-hydroxyethyl)amino]propyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H24N4O3 |
|---|---|
| Molecular Weight | 344.18 g/mol |
| LogP | 0.86292 |
| Topological Polar Surface Area | 94.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.18484 |
| Heavy Atoms | 25 |
| Complexity | 909.70654 |
Chemical Identifiers
| CAS Number | 896804-28-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCCN(CCO)CCO |
Product Overview
3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 896804-28-7), with molecular formula C18H24N4O3 and molecular weight 344.18 g/mol. IUPAC: 3-[3-[bis(2-hydroxyethyl)amino]propyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 0.86292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 94.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 3 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-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 896804-28-7.
What is the molecular formula of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H24N4O3.
What is the molecular weight of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 344.18 g/mol.
Where can I buy 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-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-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(bis(2-hydroxyethyl)amino)propyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.