![3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/887/887215-80-7.png)
3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one (CAS 887215-80-7) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00676994-01, F1882-0890, 3-(2,5-dimethylphenyl)-2-[(2-oxopropyl)sulfanyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(2,5-dimethylphenyl)-2-((2-oxopropyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 4.16494 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 1253.7354 |
Chemical Identifiers
| CAS Number | 887215-80-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C |
Product Overview
3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one (CAS 887215-80-7), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.16494 indicates that 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one has 1 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-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one is 887215-80-7.
What is the molecular formula of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one is C21H19N3O2S.
What is the molecular weight of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one is 377.12 g/mol.
Where can I buy 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.