Ergophen
TL;DR: Ergophen (CAS 120063-23-2) is a chemical compound with molecular formula C40H56N2O4 and molecular weight 628.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Ergophen, (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C40H56N2O4 |
|---|---|
| Molecular Weight | 628.42 g/mol |
| LogP | 8.3414 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 628.424 |
| Heavy Atoms | 46 |
| Complexity | 1352.5056 |
Chemical Identifiers
| CAS Number | 120063-23-2 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C |
Product Overview
Ergophen (CAS 120063-23-2), with molecular formula C40H56N2O4 and molecular weight 628.42 g/mol. IUPAC: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Ergophen
Property Insights of Ergophen
The XLogP value of 8.3414 indicates that Ergophen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergophen. Following Lipinski's Rule of Five, Ergophen has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergophen?
The CAS number of Ergophen is 120063-23-2.
What is the molecular formula of Ergophen?
The molecular formula of Ergophen is C40H56N2O4.
What is the molecular weight of Ergophen?
The molecular weight of Ergophen is 628.42 g/mol.
Where can I buy Ergophen?
You can request a quote for Ergophen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergophen?
Yes, KEHONG BIO provides custom synthesis services for Ergophen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.