![2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid structure](/static/products/352/352663-34-4.png)
2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid
TL;DR: 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid (CAS 352663-34-4) is a chemical compound with molecular formula C14H14N4O3S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl)sulfanyl]acetic acid
Also Known As: 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid, 2-[(6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl)sulfanyl]acetic acid, [(6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl)sulfanyl]acetic acid
| Molecular Formula | C14H14N4O3S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.2557 |
| Topological Polar Surface Area | 97.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.07867 |
| Heavy Atoms | 22 |
| Complexity | 735.77795 |
Chemical Identifiers
| CAS Number | 352663-34-4 |
|---|---|
| SMILES | CC1(NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC(=O)O)C |
Product Overview
2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid (CAS 352663-34-4), with molecular formula C14H14N4O3S and molecular weight 318.08 g/mol. IUPAC: 2-[(6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid
Property Insights of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid
The XLogP value of 2.2557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid. The TPSA of 97.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid has 2 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 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid?
The CAS number of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid is 352663-34-4.
What is the molecular formula of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid?
The molecular formula of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid is C14H14N4O3S.
What is the molecular weight of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid?
The molecular weight of 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid is 318.08 g/mol.
Where can I buy 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid?
You can request a quote for 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6,6-Dimethyl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.