![2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5376/537668-35-2.webp)
2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-35-2) is a chemical compound with molecular formula C20H19N3OS and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, G856-0789, 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, F0580-0070, 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 537668-35-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43 |
| InChIKey | TXLCGEVFVRFTCC-UHFFFAOYSA-N |
Product Overview
2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-35-2), with molecular formula C20H19N3OS and molecular weight 349.12 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.5 indicates that 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 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 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 537668-35-2.
What is the molecular formula of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H19N3OS.
What is the molecular weight of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 349.12 g/mol.
Where can I buy 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.