![N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide structure](/static/products/5376/537668-11-4.webp)
N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
TL;DR: N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide (CAS 537668-11-4) is a chemical compound with molecular formula C19H15FN4O2S and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(3-fluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide, N-(3-fluorophenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C19H15FN4O2S |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 3.2847 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.08997 |
| Heavy Atoms | 27 |
| Complexity | 1231.5657 |
Chemical Identifiers
| CAS Number | 537668-11-4 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=CC=C4)F |
Product Overview
N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide (CAS 537668-11-4), with molecular formula C19H15FN4O2S and molecular weight 382.09 g/mol. IUPAC: N-(3-fluorophenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
Property Insights of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
The XLogP value of 3.2847 indicates that N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)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 N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide has 2 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 N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
The CAS number of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide is 537668-11-4.
What is the molecular formula of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
The molecular formula of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide is C19H15FN4O2S.
What is the molecular weight of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
The molecular weight of N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide is 382.09 g/mol.
Where can I buy N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
You can request a quote for N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluorophenyl)-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.