![5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/896/896805-65-5.png)
5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896805-65-5) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one
Also Known As: 5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one, 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-(2-mercaptoethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 1.818 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 787.8719 |
Chemical Identifiers
| CAS Number | 896805-65-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCS |
Product Overview
5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896805-65-5), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 5-methyl-3-(2-sulfanylethyl)pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 1.818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. With a topological polar surface area (TPSA) of 39.82 Ų, 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-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 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 896805-65-5.
What is the molecular formula of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C13H13N3OS.
What is the molecular weight of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 259.08 g/mol.
Where can I buy 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-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 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3-(2-sulfanylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.