Rotundine
TL;DR: Rotundine (CAS 2934-97-6) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Also Known As: tetrahydropalmatine, Rotundine, DL-Tetrahydropalmatine, D-Tetrahydropalmatine, Hyndarin
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H25NO4 |
| Molecular Weight | 355.17834 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.17834 Da |
| Heavy Atoms | 26 |
| Complexity | 475.0 |
| SMILES | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| InChIKey | AEQDJSLRWYMAQI-UHFFFAOYSA-N |
Product Description
Applications: Rotundine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Rotundine (CAS 2934-97-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Rotundine (CAS 2934-97-6) is a pharmaceutical intermediate with the molecular formula C21H25NO4 and a molecular weight of 355.18 g/mol. It is also known as tetrahydropalmatine and Rotundine.
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 Rotundine
Property Insights of Rotundine
The XLogP value of 3.2 indicates that Rotundine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, Rotundine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rotundine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Rotundine?
The CAS number of Rotundine is 2934-97-6.
What is the molecular formula of Rotundine?
The molecular formula of Rotundine is C21H25NO4.
What is the molecular weight of Rotundine?
The molecular weight of Rotundine is 355.17834 g/mol.
What are the applications of Rotundine?
Rotundine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Rotundine (CAS 2934-97-6) with custom...
Where can I buy Rotundine?
You can request a quote for Rotundine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rotundine?
Yes, CoreyChem provides custom synthesis services for Rotundine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.