Tuberostemonone
TL;DR: Tuberostemonone (CAS 134822-46-1) is a chemical compound with molecular formula C22H31NO6 and molecular weight 405.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S,6S,7R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
Also Known As: Tuberostemonone, J1.156.727D, (1S,2R,3S,6S,7R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione, 4H-7,12-Methanofuro[3,2-e]azacyclododecine-2,4,14(3H)-trione, 13-ethyldecahydro-3-methyl-6-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (3S,3aS,6S,7R,12S,13R,13aS)-, (1S,2R,3S,6S,7R,10S)-2-ethyl-6-methyl-10-((2S,4S)-4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatricyclo(9.4.1.03,7)hexadecane-5,8,16-trione
| Molecular Formula | C22H31NO6 |
|---|---|
| Molecular Weight | 405.22 g/mol |
| LogP | 2.112 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.21515 |
| Heavy Atoms | 29 |
| Complexity | 720.09106 |
Chemical Identifiers
| CAS Number | 134822-46-1 |
|---|---|
| SMILES | CC[C@@H]1[C@@H]2CCCCN(C2=O)[C@@H](CC(=O)[C@H]3[C@H]1OC(=O)[C@H]3C)[C@@H]4C[C@@H](C(=O)O4)C |
Product Overview
Tuberostemonone (CAS 134822-46-1), with molecular formula C22H31NO6 and molecular weight 405.22 g/mol. IUPAC: (1S,2R,3S,6S,7R,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione.
Chemical Property Profile of Tuberostemonone
Property Insights of Tuberostemonone
The XLogP value of 2.112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tuberostemonone. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Tuberostemonone. Following Lipinski's Rule of Five, Tuberostemonone has 0 hydrogen bond donor(s) and 6 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 Tuberostemonone?
The CAS number of Tuberostemonone is 134822-46-1.
What is the molecular formula of Tuberostemonone?
The molecular formula of Tuberostemonone is C22H31NO6.
What is the molecular weight of Tuberostemonone?
The molecular weight of Tuberostemonone is 405.22 g/mol.
Where can I buy Tuberostemonone?
You can request a quote for Tuberostemonone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tuberostemonone?
Yes, KEHONG BIO provides custom synthesis services for Tuberostemonone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.