4,7-Dimethyl-2,1,3-benzoxadiazole
TL;DR: 4,7-Dimethyl-2,1,3-benzoxadiazole (CAS 37455-85-9) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-2,1,3-benzoxadiazole
Also Known As: 4,7-Dimethylbenzofurazane, 4,7-dimethyl-2,1,3-benzoxadiazole, Benzofurazan, 4,7-dimethyl-, 2,1,3-Benzoxadiazole, 4,7-dimethyl-, 2,5-dimethyl-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 37455-85-9 |
|---|---|
| SMILES | CC1=CC=C(C2=NON=C12)C |
| InChIKey | HWZCSMWFFNWUEN-UHFFFAOYSA-N |
Product Overview
4,7-Dimethyl-2,1,3-benzoxadiazole (CAS 37455-85-9), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 4,7-dimethyl-2,1,3-benzoxadiazole.
Chemical Property Profile of 4,7-Dimethyl-2,1,3-benzoxadiazole
Property Insights of 4,7-Dimethyl-2,1,3-benzoxadiazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dimethyl-2,1,3-benzoxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 4,7-Dimethyl-2,1,3-benzoxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dimethyl-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 3 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 4,7-Dimethyl-2,1,3-benzoxadiazole?
The CAS number of 4,7-Dimethyl-2,1,3-benzoxadiazole is 37455-85-9.
What is the molecular formula of 4,7-Dimethyl-2,1,3-benzoxadiazole?
The molecular formula of 4,7-Dimethyl-2,1,3-benzoxadiazole is C8H8N2O.
What is the molecular weight of 4,7-Dimethyl-2,1,3-benzoxadiazole?
The molecular weight of 4,7-Dimethyl-2,1,3-benzoxadiazole is 148.06 g/mol.
Where can I buy 4,7-Dimethyl-2,1,3-benzoxadiazole?
You can request a quote for 4,7-Dimethyl-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dimethyl-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dimethyl-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.