3,4-Didehydroreserpine
TL;DR: 3,4-Didehydroreserpine (CAS 107052-60-8) is a chemical compound with molecular formula C33H39N2O9+ and molecular weight 607.26556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-3H-yohimban-13-ium-19-carboxylate
Also Known As: 3,4-Didehydroreserpine, 3-Dehydroreserpine, 3,4-Dehydroreserpine, Reserpine Impurity 2, 3-Dehydro Reserpine Chloride
Technical Specifications
| Molecular Formula | C33H39N2O9+ |
| Molecular Weight | 607.26556 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 607.26556 Da |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
| SMILES | CO[C@H]1[C@@H](C[C@@H]2C[N+]3=C(C[C@@H]2[C@@H]1C(=O)OC)C4=C(CC3)C5=C(N4)C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| InChIKey | AMMZXKADPOCNCB-FRNKBNCOSA-O |
Chemical Property Profile of 3,4-Didehydroreserpine
Property Insights of 3,4-Didehydroreserpine
The XLogP value of 3.6 indicates that 3,4-Didehydroreserpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Didehydroreserpine. Following Lipinski's Rule of Five, 3,4-Didehydroreserpine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,4-Didehydroreserpine?
The CAS number of 3,4-Didehydroreserpine is 107052-60-8.
What is the molecular formula of 3,4-Didehydroreserpine?
The molecular formula of 3,4-Didehydroreserpine is C33H39N2O9+.
What is the molecular weight of 3,4-Didehydroreserpine?
The molecular weight of 3,4-Didehydroreserpine is 607.26556 g/mol.
Where can I buy 3,4-Didehydroreserpine?
You can request a quote for 3,4-Didehydroreserpine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Didehydroreserpine?
Yes, CoreyChem provides custom synthesis services for 3,4-Didehydroreserpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.