![2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide structure](/static/products/5367/536713-08-3.webp)
2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
TL;DR: 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide (CAS 536713-08-3) is a chemical compound with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide, G856-1214, F0580-0787, 2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 3.9077 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1360.6201 |
Chemical Identifiers
| CAS Number | 536713-08-3 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide (CAS 536713-08-3), with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Property Insights of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
The XLogP value of 3.9077 indicates that 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide. Following Lipinski's Rule of Five, 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide has 2 hydrogen bond donor(s) and 5 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-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide?
The CAS number of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide is 536713-08-3.
What is the molecular formula of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide?
The molecular formula of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide is C23H21ClN4O3S.
What is the molecular weight of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide?
The molecular weight of 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide is 468.10 g/mol.
Where can I buy 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide?
You can request a quote for 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)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-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.