Tuberostemonine
TL;DR: Tuberostemonine (CAS 6879-01-2) is a chemical compound with molecular formula C22H33NO4 and molecular weight 375.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
Also Known As: Tuberostemonine, Tuberstemonine, Tubero-stemonine, (-)-tuberostemonine, TimTec1_001671
| Molecular Formula | C22H33NO4 |
|---|---|
| Molecular Weight | 375.24 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.24097 |
| Heavy Atoms | 27 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 6879-01-2 |
|---|---|
| SMILES | CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C |
| InChIKey | GYOGHROCTSEKDY-JJDZUBOLSA-N |
Product Overview
Tuberostemonine (CAS 6879-01-2), with molecular formula C22H33NO4 and molecular weight 375.24 g/mol. IUPAC: (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one.
Chemical Property Profile of Tuberostemonine
Property Insights of Tuberostemonine
The XLogP value of 3.9 indicates that Tuberostemonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Tuberostemonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tuberostemonine has 0 hydrogen bond donor(s) and 5 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 Tuberostemonine?
The CAS number of Tuberostemonine is 6879-01-2.
What is the molecular formula of Tuberostemonine?
The molecular formula of Tuberostemonine is C22H33NO4.
What is the molecular weight of Tuberostemonine?
The molecular weight of Tuberostemonine is 375.24 g/mol.
Where can I buy Tuberostemonine?
You can request a quote for Tuberostemonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tuberostemonine?
Yes, KEHONG BIO provides custom synthesis services for Tuberostemonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.