![3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/372/372172-67-3.png)
3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one (CAS 372172-67-3) is a chemical compound with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, (E)-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-({(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[(E)-{[3-(Hydroxymethyl)-4-methoxyphenyl]methylidene}amino]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-{[1-(3-Hydroxymethyl-4-methoxy-phenyl)-meth-(E)-ylidene]-amino}-3,5-dihydro-pyrimido[5,4-b]indol-4- one
| Molecular Formula | C19H16N4O3 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 2.2609 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.12225 |
| Heavy Atoms | 26 |
| Complexity | 1190.5524 |
Chemical Identifiers
| CAS Number | 372172-67-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=CC=CC=C43)CO |
Product Overview
3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one (CAS 372172-67-3), with molecular formula C19H16N4O3 and molecular weight 348.12 g/mol. IUPAC: 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.2609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-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-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one is 372172-67-3.
What is the molecular formula of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one is C19H16N4O3.
What is the molecular weight of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one is 348.12 g/mol.
Where can I buy 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-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-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.