Jervinone
TL;DR: Jervinone (CAS 469-60-3) is a chemical compound with molecular formula C27H37NO3 and molecular weight 423.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,5,6,6a,6b,7,8,11a-octahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-dione
Also Known As: Jervinone, (+)-Jervinone, (-)-Jervinone, HY-N11918, (23R)-17,23-epoxy-veratra-4,12-diene-3,11-dione
| Molecular Formula | C27H37NO3 |
|---|---|
| Molecular Weight | 423.28 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 423.27734 |
| Heavy Atoms | 31 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 469-60-3 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5C(=O)C4=C3C)C)C)NC1 |
| InChIKey | KLTPAUQDYRELPI-WKWNSBFHSA-N |
Product Overview
Jervinone (CAS 469-60-3), with molecular formula C27H37NO3 and molecular weight 423.28 g/mol. IUPAC: (3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,5,6,6a,6b,7,8,11a-octahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-dione.
Chemical Property Profile of Jervinone
Property Insights of Jervinone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jervinone. With a topological polar surface area (TPSA) of 55.4 Ų, Jervinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Jervinone has 1 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 Jervinone?
The CAS number of Jervinone is 469-60-3.
What is the molecular formula of Jervinone?
The molecular formula of Jervinone is C27H37NO3.
What is the molecular weight of Jervinone?
The molecular weight of Jervinone is 423.28 g/mol.
Where can I buy Jervinone?
You can request a quote for Jervinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jervinone?
Yes, KEHONG BIO provides custom synthesis services for Jervinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.