Hupehenisine
TL;DR: Hupehenisine (CAS 105814-56-0) is a chemical compound with molecular formula C27H41NO3 and molecular weight 427.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Also Known As: Hupehenisine, Hupehanisine, Songbaisine, DIHYDROJERVINE, (-)-Hupehenisine
| Molecular Formula | C27H41NO3 |
|---|---|
| Molecular Weight | 427.31 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 427.30865 |
| Heavy Atoms | 31 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 105814-56-0 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1 |
| InChIKey | YQGYDJYDIWCHOB-YPPUOXSUSA-N |
Product Overview
Hupehenisine (CAS 105814-56-0), with molecular formula C27H41NO3 and molecular weight 427.31 g/mol. IUPAC: (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one.
Chemical Property Profile of Hupehenisine
Property Insights of Hupehenisine
The XLogP value of 3.7 indicates that Hupehenisine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Hupehenisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hupehenisine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hupehenisine?
The CAS number of Hupehenisine is 105814-56-0.
What is the molecular formula of Hupehenisine?
The molecular formula of Hupehenisine is C27H41NO3.
What is the molecular weight of Hupehenisine?
The molecular weight of Hupehenisine is 427.31 g/mol.
Where can I buy Hupehenisine?
You can request a quote for Hupehenisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hupehenisine?
Yes, KEHONG BIO provides custom synthesis services for Hupehenisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.