![N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide structure](/static/products/5376/537668-14-7.webp)
N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
TL;DR: N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide (CAS 537668-14-7) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: N-benzyl-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide, N-benzyl-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.8233 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 1181.2548 |
Chemical Identifiers
| CAS Number | 537668-14-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide (CAS 537668-14-7), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Property Insights of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
The XLogP value of 2.8233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-benzyl-2-[(3-methyl-4-oxo-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-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
The CAS number of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide is 537668-14-7.
What is the molecular formula of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
The molecular formula of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide is C20H18N4O2S.
What is the molecular weight of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
The molecular weight of N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide is 378.12 g/mol.
Where can I buy N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
You can request a quote for N-benzyl-2-[(3-methyl-4-oxo-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-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.