7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole
TL;DR: 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole (CAS 20108-84-3) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-5,6-dihydro-4H-2,1-benzoxazole
Also Known As: 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole, 7,7-dimethyl-5,6-dihydro-4H-2,1-benzoxazole, 2,1-Benzisoxazole, 4,5,6,7-tetrahydro-7,7-dimethyl-, 2,1-Benzisoxazole, 4,5,6,7-tetrahydro-7,7-dimethyl- (8CI,9CI)
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 20108-84-3 |
|---|---|
| SMILES | CC1(CCCC2=CON=C21)C |
| InChIKey | ZIBFPCFRGMMYQR-UHFFFAOYSA-N |
Product Overview
7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole (CAS 20108-84-3), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 7,7-dimethyl-5,6-dihydro-4H-2,1-benzoxazole.
Chemical Property Profile of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole
Property Insights of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole has 0 hydrogen bond donor(s) and 2 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 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The CAS number of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole is 20108-84-3.
What is the molecular formula of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The molecular formula of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole is C9H13NO.
What is the molecular weight of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The molecular weight of 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole is 151.10 g/mol.
Where can I buy 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole?
You can request a quote for 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.