![(E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/840/840477-51-2.png)
(E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840477-51-2) is a chemical compound with molecular formula C20H17ClN4O and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-chloro-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 8-chloro-3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H17ClN4O |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 4.5368 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1091 |
| Heavy Atoms | 26 |
| Complexity | 1186.3582 |
Chemical Identifiers
| CAS Number | 840477-51-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Cl |
Product Overview
(E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840477-51-2), with molecular formula C20H17ClN4O and molecular weight 364.11 g/mol. IUPAC: 8-chloro-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.5368 indicates that (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-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 (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 840477-51-2.
What is the molecular formula of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H17ClN4O.
What is the molecular weight of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 364.11 g/mol.
Where can I buy (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-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 (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-chloro-3-((4-isopropylbenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.