![3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one structure](/static/products/119/1190239-55-4.png)
3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-55-4) is a chemical compound with molecular formula C21H17BrN4O2S and molecular weight 468.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one
Also Known As: 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-(4-bromophenyl)-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one, 3-(4-bromophenyl)-6-hydroxy-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
| Molecular Formula | C21H17BrN4O2S |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 4.07959 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.02557 |
| Heavy Atoms | 29 |
| Complexity | 1354.1067 |
Chemical Identifiers
| CAS Number | 1190239-55-4 |
|---|---|
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=C(N(C(=S)NC4=O)C5=CC=C(C=C5)Br)O |
Product Overview
3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-55-4), with molecular formula C21H17BrN4O2S and molecular weight 468.03 g/mol. IUPAC: 1-(4-bromophenyl)-6-hydroxy-2-sulfanylidene-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidin-4-one.
Chemical Property Profile of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 4.07959 indicates that 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 4 hydrogen bond donor(s) and 4 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 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190239-55-4.
What is the molecular formula of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C21H17BrN4O2S.
What is the molecular weight of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 468.03 g/mol.
Where can I buy 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.