![2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide structure](/static/products/5367/536715-19-2.webp)
2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
TL;DR: 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide (CAS 536715-19-2) is a chemical compound with molecular formula C25H18ClFN4O2S and molecular weight 492.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide, F0580-0896, 2-((3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-fluorobenzyl)acetamide, 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C25H18ClFN4O2S |
|---|---|
| Molecular Weight | 492.08 g/mol |
| LogP | 5.068 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.0823 |
| Heavy Atoms | 34 |
| Complexity | 1563.02 |
Chemical Identifiers
| CAS Number | 536715-19-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NCC4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl |
Product Overview
2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide (CAS 536715-19-2), with molecular formula C25H18ClFN4O2S and molecular weight 492.08 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Property Insights of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
The XLogP value of 5.068 indicates that 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide. Following Lipinski's Rule of Five, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide has 2 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-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide?
The CAS number of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide is 536715-19-2.
What is the molecular formula of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide?
The molecular formula of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide is C25H18ClFN4O2S.
What is the molecular weight of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide?
The molecular weight of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide is 492.08 g/mol.
Where can I buy 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide?
You can request a quote for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.