![(E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione structure](/static/products/488/488121-71-7.png)
(E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
TL;DR: (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 488121-71-7) is a chemical compound with molecular formula C28H20ClN5O4 and molecular weight 525.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-(8-chloro-2-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
Also Known As: (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione, 2-(5-{(E)-[(8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione, 2-[[5-[(E)-(8-chloro-2-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
| Molecular Formula | C28H20ClN5O4 |
|---|---|
| Molecular Weight | 525.12 g/mol |
| LogP | 4.52662 |
| Topological Polar Surface Area | 109.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.12036 |
| Heavy Atoms | 38 |
| Complexity | 1853.3849 |
Chemical Identifiers
| CAS Number | 488121-71-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)NC6=C2C=C(C=C6)Cl |
Product Overview
(E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 488121-71-7), with molecular formula C28H20ClN5O4 and molecular weight 525.12 g/mol. IUPAC: 2-[[5-[(E)-(8-chloro-2-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
Property Insights of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
The XLogP value of 4.52662 indicates that (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The CAS number of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 488121-71-7.
What is the molecular formula of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular formula of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is C28H20ClN5O4.
What is the molecular weight of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular weight of (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 525.12 g/mol.
Where can I buy (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
You can request a quote for (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-(((8-chloro-2-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-2-methoxybenzyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.