![(E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/488/488804-86-0.png)
(E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 488804-86-0) is a chemical compound with molecular formula C30H29ClN4O3 and molecular weight 528.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-{[(E)-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C30H29ClN4O3 |
|---|---|
| Molecular Weight | 528.19 g/mol |
| LogP | 6.74124 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.1928 |
| Heavy Atoms | 38 |
| Complexity | 1750.8549 |
Chemical Identifiers
| CAS Number | 488804-86-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)/C=N/N3C(=NC4=C(C3=O)NC5=CC=CC=C54)C)OC |
Product Overview
(E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 488804-86-0), with molecular formula C30H29ClN4O3 and molecular weight 528.19 g/mol. IUPAC: 3-[(E)-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 6.74124 indicates that (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-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 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 488804-86-0.
What is the molecular formula of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C30H29ClN4O3.
What is the molecular weight of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 528.19 g/mol.
Where can I buy (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-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 (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.