![8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol structure](/static/products/987/98792-11-1.png)
8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol
TL;DR: 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol (CAS 98792-11-1) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-1,5-dihydropyrimido[5,4-b]indole-4-thione
Also Known As: 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol, BAS 00411440, 8-methoxy-1,5-dihydropyrimido[5,4-b]indole-4-thione, 8-methoxypyrimidino[5,4-b]indole-4-thiol, 4-mercapto-8-methoxypyrimido[5,4-b]indole
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 98792-11-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2NC=NC3=S |
| InChIKey | NRHNFEIOZFBUID-UHFFFAOYSA-N |
Product Overview
8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol (CAS 98792-11-1), with molecular formula C11H9N3OS and molecular weight 231.05 g/mol. IUPAC: 8-methoxy-1,5-dihydropyrimido[5,4-b]indole-4-thione.
Chemical Property Profile of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol
Property Insights of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol. Following Lipinski's Rule of Five, 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol has 2 hydrogen bond donor(s) and 2 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-methoxy-5H-pyrimido[5,4-b]indole-4-thiol?
The CAS number of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol is 98792-11-1.
What is the molecular formula of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol?
The molecular formula of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol is C11H9N3OS.
What is the molecular weight of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol?
The molecular weight of 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol is 231.05 g/mol.
Where can I buy 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol?
You can request a quote for 8-methoxy-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-methoxy-5H-pyrimido[5,4-b]indole-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.