![3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/328/328271-65-4.png)
3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 328271-65-4) is a chemical compound with molecular formula C16H20N4OS and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(butylsulfanyl)-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C16H20N4OS |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 3.9712 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13577 |
| Heavy Atoms | 22 |
| Complexity | 674.94543 |
Chemical Identifiers
| CAS Number | 328271-65-4 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)(C)C)N=N1 |
Product Overview
3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 328271-65-4), with molecular formula C16H20N4OS and molecular weight 316.14 g/mol. IUPAC: 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 3.9712 indicates that 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine has 1 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-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 328271-65-4.
What is the molecular formula of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C16H20N4OS.
What is the molecular weight of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 316.14 g/mol.
Where can I buy 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-butylsulfanyl-6,6-dimethyl-7H-[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-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-butylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.