Ecalcidene
TL;DR: Ecalcidene (CAS 150337-94-3) is a chemical compound with molecular formula C29H45NO3 and molecular weight 455.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-piperidin-1-ylpentan-1-one
Also Known As: Ecalcidene, ecalcideno, ECALCIDENUM, Ecalcidene [USAN], Ecalcidene [USAN:INN]
| Molecular Formula | C29H45NO3 |
|---|---|
| Molecular Weight | 455.34 g/mol |
| LogP | 5.5562 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.33994 |
| Heavy Atoms | 33 |
| Complexity | 792.6887 |
Chemical Identifiers
| CAS Number | 150337-94-3 |
|---|---|
| SMILES | C[C@@H](CCC(=O)N1CCCCC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C |
Product Overview
Ecalcidene (CAS 150337-94-3), with molecular formula C29H45NO3 and molecular weight 455.34 g/mol. IUPAC: (4S)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-piperidin-1-ylpentan-1-one.
Chemical Property Profile of Ecalcidene
Property Insights of Ecalcidene
The XLogP value of 5.5562 indicates that Ecalcidene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecalcidene. Following Lipinski's Rule of Five, Ecalcidene has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ecalcidene?
The CAS number of Ecalcidene is 150337-94-3.
What is the molecular formula of Ecalcidene?
The molecular formula of Ecalcidene is C29H45NO3.
What is the molecular weight of Ecalcidene?
The molecular weight of Ecalcidene is 455.34 g/mol.
Where can I buy Ecalcidene?
You can request a quote for Ecalcidene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecalcidene?
Yes, KEHONG BIO provides custom synthesis services for Ecalcidene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.