Mycotrienin
TL;DR: Mycotrienin (CAS 11050-90-1) is a chemical compound with molecular formula C36H50N2O8 and molecular weight 638.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R,6E,8E,10E,13S,14S,15R,16E)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
Also Known As: Mycotrienin II, Mycotrienin, Ansatrienin B, [(5R,6E,8E,10E,13S,14S,15R,16E)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate, D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with 20,23-didehydro-20,23-dideoxo-20,23-dihydroxyansatrienol A
| Molecular Formula | C36H50N2O8 |
|---|---|
| Molecular Weight | 638.36 g/mol |
| LogP | 5.3864 |
| Topological Polar Surface Area | 154.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 638.3567 |
| Heavy Atoms | 46 |
| Complexity | 1311.0657 |
Chemical Identifiers
| CAS Number | 11050-90-1 |
|---|---|
| SMILES | C[C@@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=CC(=C2O)CC/C=C(/[C@@H]1O)\C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3 |
Product Overview
Mycotrienin (CAS 11050-90-1), with molecular formula C36H50N2O8 and molecular weight 638.36 g/mol. IUPAC: [(5R,6E,8E,10E,13S,14S,15R,16E)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate.
Chemical Property Profile of Mycotrienin
Property Insights of Mycotrienin
The XLogP value of 5.3864 indicates that Mycotrienin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.42 Ų indicates high polarity, suggesting Mycotrienin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycotrienin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycotrienin?
The CAS number of Mycotrienin is 11050-90-1.
What is the molecular formula of Mycotrienin?
The molecular formula of Mycotrienin is C36H50N2O8.
What is the molecular weight of Mycotrienin?
The molecular weight of Mycotrienin is 638.36 g/mol.
Where can I buy Mycotrienin?
You can request a quote for Mycotrienin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycotrienin?
Yes, KEHONG BIO provides custom synthesis services for Mycotrienin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.