![(E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate structure](/static/products/840/840463-75-4.png)
(E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate
TL;DR: (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate (CAS 840463-75-4) is a chemical compound with molecular formula C22H20N4O5 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-[(E)-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]phenyl] acetate
Also Known As: (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate, [2,6-dimethoxy-4-[(E)-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]phenyl] acetate, 2,6-dimethoxy-4-{(E)-[(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}phenyl acetate
| Molecular Formula | C22H20N4O5 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.01092 |
| Topological Polar Surface Area | 107.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.14337 |
| Heavy Atoms | 31 |
| Complexity | 1375.5537 |
Chemical Identifiers
| CAS Number | 840463-75-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)/N=C/C4=CC(=C(C(=C4)OC)OC(=O)C)OC |
Product Overview
(E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate (CAS 840463-75-4), with molecular formula C22H20N4O5 and molecular weight 420.14 g/mol. IUPAC: [2,6-dimethoxy-4-[(E)-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]phenyl] acetate.
Chemical Property Profile of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate
Property Insights of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate
The XLogP value of 3.01092 indicates that (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate. Following Lipinski's Rule of Five, (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate has 1 hydrogen bond donor(s) and 7 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)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate?
The CAS number of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate is 840463-75-4.
What is the molecular formula of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate?
The molecular formula of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate is C22H20N4O5.
What is the molecular weight of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate?
The molecular weight of (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate is 420.14 g/mol.
Where can I buy (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate?
You can request a quote for (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,6-dimethoxy-4-(((8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.