2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole
TL;DR: 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole (CAS 33793-98-5) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazole
Also Known As: 2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazole, 2-methyl-4,5,6,7-tetrahydro benzoxazole, BENZOXAZOLE,4,5,6,7-TETRAHYDRO-2-METHYL-, 2-methyl-4,5,6,7-tetrahydrobenzo[d]oxazole, RefChem:263339
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 33793-98-5 |
|---|---|
| SMILES | CC1=NC2=C(O1)CCCC2 |
| InChIKey | CSHSCGOIIWOJLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole (CAS 33793-98-5), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazole.
Chemical Property Profile of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole
Property Insights of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4,5,6,7-tetrahydro-1,3-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 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The CAS number of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole is 33793-98-5.
What is the molecular formula of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The molecular formula of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole is C8H11NO.
What is the molecular weight of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The molecular weight of 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole is 137.08 g/mol.
Where can I buy 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
You can request a quote for 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,5,6,7-tetrahydro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.