1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-
TL;DR: 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- (CAS 136633-15-3) is a chemical compound with molecular formula C20H15N5OS and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-14-methyl-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: 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-, 3-(4-Methoxyphenyl)-9-methyl-1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 6-(4-methoxyphenyl)-14-methyl-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, 3-(4-Methoxyphenyl)-9-methyl[1,2,4]triazolo[3',4':2,3][1,3,4]thiadiazepino[7,6-b]quinoline, methyl 4-(9-methyl[1,2,4]triazolo[3',4':2,3][1,3,4]thiadiazepino[7,6-b]quinolin-3-yl)phenyl ether
| Molecular Formula | C20H15N5OS |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 4.15712 |
| Topological Polar Surface Area | 65.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.09973 |
| Heavy Atoms | 27 |
| Complexity | 1197.1993 |
Chemical Identifiers
| CAS Number | 136633-15-3 |
|---|---|
| SMILES | CC1=CC2=CC3=C(N=C2C=C1)SC4=NN=C(N4N=C3)C5=CC=C(C=C5)OC |
Product Overview
1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- (CAS 136633-15-3), with molecular formula C20H15N5OS and molecular weight 373.10 g/mol. IUPAC: 6-(4-methoxyphenyl)-14-methyl-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 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-
Property Insights of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-
The XLogP value of 4.15712 indicates that 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- has 0 hydrogen bond donor(s) and 6 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 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-?
The CAS number of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- is 136633-15-3.
What is the molecular formula of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-?
The molecular formula of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- is C20H15N5OS.
What is the molecular weight of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-?
The molecular weight of 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- is 373.10 g/mol.
Where can I buy 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-?
You can request a quote for 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.