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6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine structure
Fine Chemical

6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine

TL;DR: 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine (CAS 109418-90-8) is a chemical compound with molecular formula C8H12N4O and molecular weight 180.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5,5,7-trimethyl-4,6-dihydro-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine

Also Known As: 4,5-Dihydro-5,5,7-trimethyl-6H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine, 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine, 5,5,7-trimethyl-3,6-dihydro-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine, 5,5,7-trimethyl-4H,5H,6H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine, 5,5,7-Trimethyl-5,6-dihydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine

CAS Number
109418-90-8
Molecular Formula
C8H12N4O
Molecular Weight
180.1011 g/mol
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Technical Specifications

Molecular FormulaC8H12N4O
Molecular Weight180.1011 g/mol
XLogP0.5
Topological Polar Surface Area (TPSA)63.3 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds0
Exact Mass180.1011 Da
Heavy Atoms13
Complexity238.0
SMILESCC1=NC2=NON=C2NC(C1)(C)C
InChIKeyZFHCUUZJPHGASN-UHFFFAOYSA-N

Chemical Property Profile of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine

XLogP
0.5
TPSA (Topological Polar Surface Area)
63.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
0
Heavy Atoms
13
Complexity
238.0
Exact Mass
180.1011
Monoisotopic Mass
180.1011
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine

The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine. Following Lipinski's Rule of Five, 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine?

The CAS number of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine is 109418-90-8.

What is the molecular formula of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine?

The molecular formula of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine is C8H12N4O.

What is the molecular weight of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine?

The molecular weight of 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine is 180.1011 g/mol.

Where can I buy 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine?

You can request a quote for 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine?

Yes, CoreyChem provides custom synthesis services for 6,7-Dihydro-5,7,7-trimethyl-1H-[1,2,5]oxadiazolo[3,4-b][1,4]diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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