Rocaglamide
TL;DR: Rocaglamide (CAS 117894-34-5) is a chemical compound with molecular formula C29H31NO7 and molecular weight 505.21005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Also Known As: Rocaglamide, Rocaglamide A, Roc-A, (-)-ROCAGLAMIDE, Rocaglamide; Rocaglamide A
Technical Specifications
| Molecular Formula | C29H31NO7 |
| Molecular Weight | 505.21005 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 97.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.21005 Da |
| Heavy Atoms | 37 |
| Complexity | 810.0 |
| SMILES | CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5 |
| InChIKey | DAPAQENNNINUPW-IDAMAFBJSA-N |
Chemical Property Profile of Rocaglamide
Property Insights of Rocaglamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rocaglamide. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Rocaglamide. Following Lipinski's Rule of Five, Rocaglamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Rocaglamide?
The CAS number of Rocaglamide is 117894-34-5.
What is the molecular formula of Rocaglamide?
The molecular formula of Rocaglamide is C29H31NO7.
What is the molecular weight of Rocaglamide?
The molecular weight of Rocaglamide is 505.21005 g/mol.
Where can I buy Rocaglamide?
You can request a quote for Rocaglamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rocaglamide?
Yes, CoreyChem provides custom synthesis services for Rocaglamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.