![2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536710-29-9.webp)
2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536710-29-9) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-(butylsulfanyl)-3-(4-ethoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, F0580-0625, 2-butylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 5.1579 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1162.3016 |
Chemical Identifiers
| CAS Number | 536710-29-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OCC)NC4=CC=CC=C42 |
Product Overview
2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536710-29-9), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 2-butylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.1579 indicates that 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536710-29-9.
What is the molecular formula of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C22H23N3O2S.
What is the molecular weight of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 393.15 g/mol.
Where can I buy 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-(butylthio)-3-(4-ethoxyphenyl)-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 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylthio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.