![(E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/372/372091-03-7.png)
(E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372091-03-7) is a chemical compound with molecular formula C18H13ClN4O2 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3-chlorophenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-(3-chlorophenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one, 3-{[(E)-(3-chlorophenyl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H13ClN4O2 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 3.422 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0727 |
| Heavy Atoms | 25 |
| Complexity | 1176.8458 |
Chemical Identifiers
| CAS Number | 372091-03-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)/N=C/C4=CC(=CC=C4)Cl |
Product Overview
(E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372091-03-7), with molecular formula C18H13ClN4O2 and molecular weight 352.07 g/mol. IUPAC: 3-[(E)-(3-chlorophenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.422 indicates that (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-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 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 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)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 372091-03-7.
What is the molecular formula of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H13ClN4O2.
What is the molecular weight of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 352.07 g/mol.
Where can I buy (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((3-chlorobenzylidene)amino)-8-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 (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-chlorobenzylidene)amino)-8-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.