Mycotrienin I
TL;DR: Mycotrienin I (CAS 82189-03-5) is a chemical compound with molecular formula C36H48N2O8 and molecular weight 636.34 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-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
Also Known As: Mycotrienin I, Ansatrienin A, [(5R,6E,8E,10E,13S,14S,15R,16E)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate, D-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with ansatrienol A, [(4E,6R,7S,8S,10E,12E,14E,16R)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
| Molecular Formula | C36H48N2O8 |
|---|---|
| Molecular Weight | 636.34 g/mol |
| LogP | 4.2624 |
| Topological Polar Surface Area | 148.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 636.34106 |
| Heavy Atoms | 46 |
| Complexity | 1314.7378 |
Chemical Identifiers
| CAS Number | 82189-03-5 |
|---|---|
| SMILES | C[C@@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=O)C=C(C2=O)CC/C=C(/[C@@H]1O)\C)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3 |
Product Overview
Mycotrienin I (CAS 82189-03-5), with molecular formula C36H48N2O8 and molecular weight 636.34 g/mol. IUPAC: [(5R,6E,8E,10E,13S,14S,15R,16E)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate.
Chemical Property Profile of Mycotrienin I
Property Insights of Mycotrienin I
The XLogP value of 4.2624 indicates that Mycotrienin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.1 Ų indicates high polarity, suggesting Mycotrienin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycotrienin I has 3 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 I?
The CAS number of Mycotrienin I is 82189-03-5.
What is the molecular formula of Mycotrienin I?
The molecular formula of Mycotrienin I is C36H48N2O8.
What is the molecular weight of Mycotrienin I?
The molecular weight of Mycotrienin I is 636.34 g/mol.
Where can I buy Mycotrienin I?
You can request a quote for Mycotrienin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycotrienin I?
Yes, KEHONG BIO provides custom synthesis services for Mycotrienin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.