9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline
TL;DR: 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline (CAS 136633-19-7) is a chemical compound with molecular formula C20H15N5O2S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methoxy-6-(4-methoxyphenyl)-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
Also Known As: 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 9-methoxy-3-(4-methoxyphenyl)-, 9-methoxy-3-(4-methoxyphenyl)[1,2,4]triazolo[3',4':2,3][1,3,4]thiadiazepino[7,6-b]quinoline, AN-584/43492723, 14-methoxy-6-(4-methoxyphenyl)-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
| Molecular Formula | C20H15N5O2S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.8573 |
| Topological Polar Surface Area | 74.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.09464 |
| Heavy Atoms | 28 |
| Complexity | 1217.4786 |
Chemical Identifiers
| CAS Number | 136633-19-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=CC4=C(S3)N=C5C=CC(=CC5=C4)OC |
Product Overview
9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline (CAS 136633-19-7), with molecular formula C20H15N5O2S and molecular weight 389.09 g/mol. IUPAC: 14-methoxy-6-(4-methoxyphenyl)-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene.
Chemical Property Profile of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline
Property Insights of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline
The XLogP value of 3.8573 indicates that 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline. Following Lipinski's Rule of Five, 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline has 0 hydrogen bond donor(s) and 7 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 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline?
The CAS number of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline is 136633-19-7.
What is the molecular formula of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline?
The molecular formula of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline is C20H15N5O2S.
What is the molecular weight of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline?
The molecular weight of 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline is 389.09 g/mol.
Where can I buy 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline?
You can request a quote for 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 9-Methoxy-3-(4-methoxyphenyl)-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.