![N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide structure](/static/products/888/888448-85-9.png)
N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
TL;DR: N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide (CAS 888448-85-9) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, 2-((3-allyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-cyclopentylacetamide, N-cyclopentyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.2147 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 1062.9551 |
Chemical Identifiers
| CAS Number | 888448-85-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4CCCC4 |
Product Overview
N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide (CAS 888448-85-9), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: N-cyclopentyl-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Property Insights of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
The XLogP value of 3.2147 indicates that N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-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-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-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-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide?
The CAS number of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide is 888448-85-9.
What is the molecular formula of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide?
The molecular formula of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide is C20H22N4O2S.
What is the molecular weight of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide?
The molecular weight of N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide is 382.15 g/mol.
Where can I buy N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide?
You can request a quote for N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-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-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopentyl-2-{[4-oxo-3-(prop-2-en-1-yl)-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.