Astrocasine
TL;DR: Astrocasine (CAS 2114-92-3) is a chemical compound with molecular formula C20H26N2O and molecular weight 310.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,12bR)-3-[(2R)-1-methylpiperidin-2-yl]-2,3,4,12b-tetrahydro-1H-pyrido[2,1-a][2]benzazepin-6-one
Also Known As: Astrocasine, (3S,12bR)-3-[(2R)-1-methylpiperidin-2-yl]-2,3,4,12b-tetrahydro-1H-pyrido[2,1-a][2]benzazepin-6-one, (3S,12bR)-1,3,4,12b-Tetrahydro-3-[(2R)-1-methyl-2-piperidinyl]pyrido[2,1-a][2]benzazepin-6(2H)-one, (3S,12bR)-3-[(2R)-1-Methylpiperidin-2-yl]-1,3,4,12b-tetrahydropyrido[2,1-a][2]benzazepin-6(2H)-one
| Molecular Formula | C20H26N2O |
|---|---|
| Molecular Weight | 310.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.2045 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 2114-92-3 |
|---|---|
| SMILES | CN1CCCC[C@@H]1[C@H]2CC[C@@H]3C4=CC=CC=C4C=CC(=O)N3C2 |
| InChIKey | SYCAKKSJEGVPOL-QXAKKESOSA-N |
Product Overview
Astrocasine (CAS 2114-92-3), with molecular formula C20H26N2O and molecular weight 310.20 g/mol. IUPAC: (3S,12bR)-3-[(2R)-1-methylpiperidin-2-yl]-2,3,4,12b-tetrahydro-1H-pyrido[2,1-a][2]benzazepin-6-one.
Chemical Property Profile of Astrocasine
Property Insights of Astrocasine
The XLogP value of 3.2 indicates that Astrocasine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Astrocasine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Astrocasine has 0 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 Astrocasine?
The CAS number of Astrocasine is 2114-92-3.
What is the molecular formula of Astrocasine?
The molecular formula of Astrocasine is C20H26N2O.
What is the molecular weight of Astrocasine?
The molecular weight of Astrocasine is 310.20 g/mol.
Where can I buy Astrocasine?
You can request a quote for Astrocasine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Astrocasine?
Yes, KEHONG BIO provides custom synthesis services for Astrocasine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.