![8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol structure](/static/products/848/848740-87-4.png)
8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol
TL;DR: 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol (CAS 848740-87-4) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethoxy-1,5-dihydropyrimido[5,4-b]indole-4-thione
Also Known As: 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol, 8-ethoxy-1,5-dihydropyrimido[5,4-b]indole-4-thione
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 3.17239 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 744.1703 |
Chemical Identifiers
| CAS Number | 848740-87-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC3=C2NC=NC3=S |
Product Overview
8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol (CAS 848740-87-4), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 8-ethoxy-1,5-dihydropyrimido[5,4-b]indole-4-thione.
Chemical Property Profile of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol
Property Insights of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol
The XLogP value of 3.17239 indicates that 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol has 2 hydrogen bond donor(s) and 3 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 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol?
The CAS number of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol is 848740-87-4.
What is the molecular formula of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol?
The molecular formula of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol is C12H11N3OS.
What is the molecular weight of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol?
The molecular weight of 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol is 245.06 g/mol.
Where can I buy 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol?
You can request a quote for 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 8-ethoxy-5H-pyrimido[5,4-b]indole-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.