Isorubijervine
TL;DR: Isorubijervine (CAS 468-45-1) is a chemical compound with molecular formula C27H43NO2 and molecular weight 413.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7S,10R,11S,14R,15R,16S,17R,20S,23S)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol
Also Known As: Isorubijervine, iso-rubijervine, ISORUBIJERVINE [MI], Solanid-5-ene-3beta,18-diol, Solanid-5-ene-3.beta.,18-diol
| Molecular Formula | C27H43NO2 |
|---|---|
| Molecular Weight | 413.33 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 413.32938 |
| Heavy Atoms | 30 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 468-45-1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)CO)C |
| InChIKey | NMFWDNZLNHRNAT-SBEAXSITSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isorubijervine (CAS 468-45-1), with molecular formula C27H43NO2 and molecular weight 413.33 g/mol. IUPAC: (1S,2R,7S,10R,11S,14R,15R,16S,17R,20S,23S)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol.
Chemical Property Profile of Isorubijervine
Property Insights of Isorubijervine
The XLogP value of 4.7 indicates that Isorubijervine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Isorubijervine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isorubijervine has 2 hydrogen bond donor(s) and 3 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 Isorubijervine?
The CAS number of Isorubijervine is 468-45-1.
What is the molecular formula of Isorubijervine?
The molecular formula of Isorubijervine is C27H43NO2.
What is the molecular weight of Isorubijervine?
The molecular weight of Isorubijervine is 413.33 g/mol.
Where can I buy Isorubijervine?
You can request a quote for Isorubijervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorubijervine?
Yes, KEHONG BIO provides custom synthesis services for Isorubijervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.