![N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide structure](/static/products/888/888449-06-7.png)
N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
TL;DR: N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide (CAS 888449-06-7) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: N-benzyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, F1882-1585, 2-((3-allyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-benzylacetamide, N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.4723 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1244.3806 |
Chemical Identifiers
| CAS Number | 888449-06-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide (CAS 888449-06-7), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Property Insights of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
The XLogP value of 3.4723 indicates that N-benzyl-2-[(4-oxo-3-prop-2-enyl-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-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-benzyl-2-[(4-oxo-3-prop-2-enyl-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-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
The CAS number of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide is 888449-06-7.
What is the molecular formula of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
The molecular formula of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide is C22H20N4O2S.
What is the molecular weight of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
The molecular weight of N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide is 404.13 g/mol.
Where can I buy N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
You can request a quote for N-benzyl-2-[(4-oxo-3-prop-2-enyl-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-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.