![4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid structure](/static/products/118/1189931-63-2.png)
4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid
TL;DR: 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid (CAS 1189931-63-2) is a chemical compound with molecular formula C23H20N4O6 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,4-dioxopyrimidin-1-yl]benzoic acid
Also Known As: 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid, 4-[2,4-dihydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-6-oxopyrimidin-1(6H)-yl]benzoic acid, 4-[6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,4-dioxopyrimidin-1-yl]benzoic acid
| Molecular Formula | C23H20N4O6 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 1.6546 |
| Topological Polar Surface Area | 149.44 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.13828 |
| Heavy Atoms | 33 |
| Complexity | 1513.2245 |
Chemical Identifiers
| CAS Number | 1189931-63-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCNC3C4=C(N(C(=O)NC4=O)C5=CC=C(C=C5)C(=O)O)O |
Product Overview
4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid (CAS 1189931-63-2), with molecular formula C23H20N4O6 and molecular weight 448.14 g/mol. IUPAC: 4-[6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,4-dioxopyrimidin-1-yl]benzoic acid.
Chemical Property Profile of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid
Property Insights of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid
The XLogP value of 1.6546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid. The TPSA of 149.44 Ų indicates high polarity, suggesting 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid has 5 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 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid?
The CAS number of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid is 1189931-63-2.
What is the molecular formula of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid?
The molecular formula of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid is C23H20N4O6.
What is the molecular weight of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid?
The molecular weight of 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid is 448.14 g/mol.
Where can I buy 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid?
You can request a quote for 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.