3-Isoantirhine
TL;DR: 3-Isoantirhine (CAS 34384-65-1) is a chemical compound with molecular formula C19H24N2O and molecular weight 296.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
Also Known As: 3-Isoantirhine, 3-epi-Antirhine, Indolo(2,3-a)quinolizine-2-ethanol, beta-ethenyl-1,2,3,4,6,7,12,12b-octahydro-, (betaR,2S,12bR)-, (2R)-2-[(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol, (2S)-2-[(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
| Molecular Formula | C19H24N2O |
|---|---|
| Molecular Weight | 296.19 g/mol |
| LogP | 3.2716 |
| Topological Polar Surface Area | 39.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.18887 |
| Heavy Atoms | 22 |
| Complexity | 689.80005 |
Chemical Identifiers
| CAS Number | 34384-65-1 |
|---|---|
| SMILES | C=C[C@@H](CO)[C@H]1CCN2CCC3=C([C@H]2C1)NC4=CC=CC=C34 |
Product Overview
3-Isoantirhine (CAS 34384-65-1), with molecular formula C19H24N2O and molecular weight 296.19 g/mol. IUPAC: (2R)-2-[(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol.
Chemical Property Profile of 3-Isoantirhine
Property Insights of 3-Isoantirhine
The XLogP value of 3.2716 indicates that 3-Isoantirhine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.26 Ų, 3-Isoantirhine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoantirhine has 2 hydrogen bond donor(s) and 2 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 3-Isoantirhine?
The CAS number of 3-Isoantirhine is 34384-65-1.
What is the molecular formula of 3-Isoantirhine?
The molecular formula of 3-Isoantirhine is C19H24N2O.
What is the molecular weight of 3-Isoantirhine?
The molecular weight of 3-Isoantirhine is 296.19 g/mol.
Where can I buy 3-Isoantirhine?
You can request a quote for 3-Isoantirhine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoantirhine?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoantirhine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.