![N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide structure](/static/products/5367/536716-06-0.webp)
N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
TL;DR: N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide (CAS 536716-06-0) is a chemical compound with molecular formula C23H16F3N5O3S and molecular weight 499.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-(5-methylisoxazol-3-yl)-2-((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(5-methyl-3-isoxazolyl){1-oxo-2-[m-(trifluoromethyl)phenyl]-2,4,9-triaza-2,9-dihydro-1H-fluoren-3-ylthio}acetamide
| Molecular Formula | C23H16F3N5O3S |
|---|---|
| Molecular Weight | 499.09 g/mol |
| LogP | 4.91302 |
| Topological Polar Surface Area | 105.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.0926 |
| Heavy Atoms | 35 |
| Complexity | 1637.2906 |
Chemical Identifiers
| CAS Number | 536716-06-0 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53 |
Product Overview
N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide (CAS 536716-06-0), with molecular formula C23H16F3N5O3S and molecular weight 499.09 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
Property Insights of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
The XLogP value of 4.91302 indicates that N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-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 105.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide has 2 hydrogen bond donor(s) and 6 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-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
The CAS number of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide is 536716-06-0.
What is the molecular formula of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
The molecular formula of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide is C23H16F3N5O3S.
What is the molecular weight of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
The molecular weight of N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide is 499.09 g/mol.
Where can I buy N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
You can request a quote for N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-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-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-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.