Rotundine
TL;DR: Rotundine (CAS 2934-97-6) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 2934-97-6 |
|---|---|
| SMILES | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| InChIKey | AEQDJSLRWYMAQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rotundine (CAS 2934-97-6), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline.
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
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 355.18 g/mol.
Where can I buy Rotundine?
You can request a quote for Rotundine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotundine?
Yes, KEHONG BIO provides custom synthesis services for Rotundine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.