Rocaglamide
TL;DR: Rocaglamide (CAS 84573-16-0) is a chemical compound with molecular formula C29H31NO7 and molecular weight 505.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,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, J3.808.298A, (1R,2R,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, (2S,3R,4R,6R)-2,3-dihydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide
| Molecular Formula | C29H31NO7 |
|---|---|
| Molecular Weight | 505.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.21005 |
| Heavy Atoms | 37 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 84573-16-0 |
|---|---|
| SMILES | CN(C)C(=O)[C@H]1[C@H]([C@]2(C3=C(C=C(C=C3OC)OC)O[C@]2(C1C4=CC=CC=C4)C5=CC=C(C=C5)OC)O)O |
| InChIKey | DAPAQENNNINUPW-LYHGRXEGSA-N |
Product Overview
Rocaglamide (CAS 84573-16-0), with molecular formula C29H31NO7 and molecular weight 505.21 g/mol. IUPAC: (1R,2R,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.
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
Frequently Asked Questions
What is the CAS number of Rocaglamide?
The CAS number of Rocaglamide is 84573-16-0.
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 505.21 g/mol.
Where can I buy Rocaglamide?
You can request a quote for Rocaglamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rocaglamide?
Yes, KEHONG BIO provides custom synthesis services for Rocaglamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.