![2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5376/537668-59-0.webp)
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 537668-59-0) is a chemical compound with molecular formula C19H14ClN3O2S and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0094, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H14ClN3O2S |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 4.0432 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.04953 |
| Heavy Atoms | 26 |
| Complexity | 1195.3313 |
Chemical Identifiers
| CAS Number | 537668-59-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 537668-59-0), with molecular formula C19H14ClN3O2S and molecular weight 383.05 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.0432 indicates that 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-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 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-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 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one is 537668-59-0.
What is the molecular formula of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one is C19H14ClN3O2S.
What is the molecular weight of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one is 383.05 g/mol.
Where can I buy 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-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 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.