![(E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one structure](/static/products/180/1801159-79-4.png)
(E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
TL;DR: (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one (CAS 1801159-79-4) is a chemical compound with molecular formula C27H25N5O2 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-4,5-dihydropyrimido[5,4-b]indol-3-yliminomethyl]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Also Known As: (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 10-[(E)-(4,5-dihydro-3H-pyrimido[5,4-b]indol-3-ylimino)methyl]-9-methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
| Molecular Formula | C27H25N5O2 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 4.79102 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.20084 |
| Heavy Atoms | 34 |
| Complexity | 1590.6519 |
Chemical Identifiers
| CAS Number | 1801159-79-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)/C=N/N5CC6=C(C7=CC=CC=C7N6)N=C5 |
Product Overview
(E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one (CAS 1801159-79-4), with molecular formula C27H25N5O2 and molecular weight 451.20 g/mol. IUPAC: 5-[(E)-4,5-dihydropyrimido[5,4-b]indol-3-yliminomethyl]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.
Chemical Property Profile of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
Property Insights of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
The XLogP value of 4.79102 indicates that (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one. Following Lipinski's Rule of Five, (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one has 1 hydrogen bond donor(s) and 6 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)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one?
The CAS number of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one is 1801159-79-4.
What is the molecular formula of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one?
The molecular formula of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one is C27H25N5O2.
What is the molecular weight of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one?
The molecular weight of (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one is 451.20 g/mol.
Where can I buy (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one?
You can request a quote for (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(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)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.