3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole
TL;DR: 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole (CAS 96128-89-1) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6-trimethyl-1-phenyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazole
Also Known As: 3,3,6-trimethyl-1-phenyloctahydro-2,1-benzoxazole, 3,3,6-Trimethyl-1-phenyloctahydrobenzo[c]isoxazole, 3,3,6-trimethyl-1-phenyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazole
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 96128-89-1 |
|---|---|
| SMILES | CC1CCC2C(C1)N(OC2(C)C)C3=CC=CC=C3 |
| InChIKey | ZLBHWUSWKCOFDB-UHFFFAOYSA-N |
Product Overview
3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole (CAS 96128-89-1), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: 3,3,6-trimethyl-1-phenyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazole.
Chemical Property Profile of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole
Property Insights of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole
The XLogP value of 4.6 indicates that 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6-Trimethyl-1-phenyloctahydro-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 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole?
The CAS number of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole is 96128-89-1.
What is the molecular formula of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole?
The molecular formula of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole is C16H23NO.
What is the molecular weight of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole?
The molecular weight of 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole is 245.18 g/mol.
Where can I buy 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole?
You can request a quote for 3,3,6-Trimethyl-1-phenyloctahydro-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 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.