![ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate structure](/static/products/118/1185115-31-4.png)
ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate
TL;DR: ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate (CAS 1185115-31-4) is a chemical compound with molecular formula C24H22N4O5 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[6-hydroxy-2,4-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-1-yl]benzoate
Also Known As: ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate, ethyl 4-[2,4-dihydroxy-6-oxo-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-1(6H)-yl]benzoate, ethyl 4-[6-hydroxy-2,4-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-1-yl]benzoate
| Molecular Formula | C24H22N4O5 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 2.1245 |
| Topological Polar Surface Area | 129.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.15903 |
| Heavy Atoms | 33 |
| Complexity | 1479.7548 |
Chemical Identifiers
| CAS Number | 1185115-31-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=C(CCN3)C5=CC=CC=C5N4)O |
Product Overview
ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate (CAS 1185115-31-4), with molecular formula C24H22N4O5 and molecular weight 446.16 g/mol. IUPAC: ethyl 4-[6-hydroxy-2,4-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate
Property Insights of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate
The XLogP value of 2.1245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate. The TPSA of 129.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate has 4 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 ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate?
The CAS number of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate is 1185115-31-4.
What is the molecular formula of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate?
The molecular formula of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate is C24H22N4O5.
What is the molecular weight of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate?
The molecular weight of ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate is 446.16 g/mol.
Where can I buy ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate?
You can request a quote for ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-hydroxy-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.