Jervine
TL;DR: Jervine (CAS 469-59-0) is a chemical compound with molecular formula C27H39NO3 and molecular weight 425.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Also Known As: JERVINE, Iervin, Jerwiny, 11-Ketocyclopamine, jervin
| Molecular Formula | C27H39NO3 |
|---|---|
| Molecular Weight | 425.29 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 425.293 |
| Heavy Atoms | 31 |
| Complexity | 876.0 |
| Melting Point | 243.5-244.5 °C |
| Solubility | SOL IN ALCOHOL, ACETONE, CHLOROFORM |
Chemical Identifiers
| CAS Number | 469-59-0 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1 |
| InChIKey | CLEXYFLHGFJONT-DNMILWOZSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Jervine (CAS 469-59-0), with molecular formula C27H39NO3 and molecular weight 425.29 g/mol. IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one.
Chemical Property Profile of Jervine
Property Insights of Jervine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jervine. With a topological polar surface area (TPSA) of 58.6 Ų, Jervine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Jervine 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 Jervine?
The CAS number of Jervine is 469-59-0.
What is the molecular formula of Jervine?
The molecular formula of Jervine is C27H39NO3.
What is the molecular weight of Jervine?
The molecular weight of Jervine is 425.29 g/mol.
Where can I buy Jervine?
You can request a quote for Jervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jervine?
Yes, KEHONG BIO provides custom synthesis services for Jervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.