Cimicifugamide
TL;DR: Cimicifugamide (CAS 1119671-93-0) is a chemical compound with molecular formula C25H31NO10 and molecular weight 505.1948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
Also Known As: Cimicifugamide, Isocimicifugamide, J3.611.852K, (E)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide, (2E)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(3-methoxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enamide
Technical Specifications
| Molecular Formula | C25H31NO10 |
| Molecular Weight | 505.1948 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.1948 Da |
| Heavy Atoms | 36 |
| Complexity | 708.0 |
| SMILES | COC1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OC)O |
| InChIKey | UYSRWDYTMGBBHP-IWAVKSQDSA-N |
Chemical Property Profile of Cimicifugamide
Property Insights of Cimicifugamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimicifugamide. The TPSA of 167.0 Ų indicates high polarity, suggesting Cimicifugamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cimicifugamide has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cimicifugamide?
The CAS number of Cimicifugamide is 1119671-93-0.
What is the molecular formula of Cimicifugamide?
The molecular formula of Cimicifugamide is C25H31NO10.
What is the molecular weight of Cimicifugamide?
The molecular weight of Cimicifugamide is 505.1948 g/mol.
Where can I buy Cimicifugamide?
You can request a quote for Cimicifugamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cimicifugamide?
Yes, CoreyChem provides custom synthesis services for Cimicifugamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.