![3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/4304/430459-10-2.webp)
3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 430459-10-2) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-(propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, AB00113270-01, AN-655/40688009, 3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 3.0929 |
| Topological Polar Surface Area | 60.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 629.79034 |
Chemical Identifiers
| CAS Number | 430459-10-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1 |
Product Overview
3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 430459-10-2), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 3-propylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 3.0929 indicates that 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine. Following Lipinski's Rule of Five, 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine 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 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 430459-10-2.
What is the molecular formula of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C13H12N4OS.
What is the molecular weight of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 272.07 g/mol.
Where can I buy 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Propylthio)[1,2,4]triazino[5,6-d][3,1]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.