![2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536705-29-0.webp)
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536705-29-0) is a chemical compound with molecular formula C25H18ClN3O2S and molecular weight 459.08 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-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0282, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C25H18ClN3O2S |
|---|---|
| Molecular Weight | 459.08 g/mol |
| LogP | 5.80382 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0808 |
| Heavy Atoms | 32 |
| Complexity | 1519.9718 |
Chemical Identifiers
| CAS Number | 536705-29-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536705-29-0), with molecular formula C25H18ClN3O2S and molecular weight 459.08 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 5.80382 indicates that 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,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-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 536705-29-0.
What is the molecular formula of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C25H18ClN3O2S.
What is the molecular weight of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 459.08 g/mol.
Where can I buy 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,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-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.