![3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536707-85-4.webp)
3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536707-85-4) is a chemical compound with molecular formula C24H18N4O4S and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0538, 3-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H18N4O4S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 5.0761 |
| Topological Polar Surface Area | 103.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1049 |
| Heavy Atoms | 33 |
| Complexity | 1539.8966 |
Chemical Identifiers
| CAS Number | 536707-85-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536707-85-4), with molecular formula C24H18N4O4S and molecular weight 458.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.0761 indicates that 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536707-85-4.
What is the molecular formula of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C24H18N4O4S.
What is the molecular weight of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 458.10 g/mol.
Where can I buy 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-2-((4-nitrobenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.