Sipholenone-A
TL;DR: Sipholenone-A (CAS 78518-74-8) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one
Also Known As: SIPHOLENONE-A, sipholenone A, Sipholenol B, SIPHOLENONE, (-)-Sipholenone A
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 78518-74-8 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C([C@H]1CC[C@@H]3[C@]4(CCC(=O)C(O[C@@H]4CC[C@]3(C)O)(C)C)C)(C)C |
| InChIKey | LKZQMXLIWZQEEU-KOGSSWOMSA-N |
Product Overview
Sipholenone-A (CAS 78518-74-8), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: (5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one.
Chemical Property Profile of Sipholenone-A
Property Insights of Sipholenone-A
The XLogP value of 5.1 indicates that Sipholenone-A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sipholenone-A. Following Lipinski's Rule of Five, Sipholenone-A has 2 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 Sipholenone-A?
The CAS number of Sipholenone-A is 78518-74-8.
What is the molecular formula of Sipholenone-A?
The molecular formula of Sipholenone-A is C30H50O4.
What is the molecular weight of Sipholenone-A?
The molecular weight of Sipholenone-A is 474.37 g/mol.
Where can I buy Sipholenone-A?
You can request a quote for Sipholenone-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sipholenone-A?
Yes, KEHONG BIO provides custom synthesis services for Sipholenone-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.