![(1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol structure](/static/images/no-structure.svg)
(1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol
TL;DR: (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol (CAS 72522-13-5) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Also Known As: Eptazocine, Sorafenib tosylate, KST-1B8345, Methyl 2-(dimethylamino)nicotinate, 1,4-dimethyl-2,3,4,5,6,7-hexahydro-1h-1,6-methano-4-benzazonin-10-ol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H21NO |
| Molecular Weight | 231.16231 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.16231 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | CC12CCN(CC(C1)CC3=C2C=C(C=C3)O)C |
| InChIKey | ZOWQTJXNFTWSCS-UHFFFAOYSA-N |
Product Description
Applications: (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol (CAS 72522-13-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol (CAS 72522-13-5) has the molecular formula C15H21NO and a molecular weight of 231.16 g/mol. It is also known as Eptazocine and Sorafenib tosylate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol
Property Insights of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol
The XLogP value of 3.0 indicates that (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol?
The CAS number of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol is 72522-13-5.
What is the molecular formula of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol?
The molecular formula of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol is C15H21NO.
What is the molecular weight of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol?
The molecular weight of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol is 231.16231 g/mol.
What are the applications of (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol?
(1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building...
Where can I buy (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol?
You can request a quote for (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol?
Yes, CoreyChem provides custom synthesis services for (1S,6S)-1,4-Dimethyl-2,3,4,5,6,7-hexahydro-1H-1,6-methanobenzo[e]azonin-10-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.