Ansatrienin A
TL;DR: Ansatrienin A (CAS 80111-47-3) 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,14R,15R,16Z)-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: Ansatrienin A, Mycotrienin I, Ansatrienine A, Antibiotic T 23I, (+)-Mycotrienin I
| 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 | 80111-47-3 |
|---|---|
| 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
Ansatrienin A (CAS 80111-47-3), with molecular formula C36H48N2O8 and molecular weight 636.34 g/mol. IUPAC: [(5R,6E,8E,10E,13S,14R,15R,16Z)-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 Ansatrienin A
Property Insights of Ansatrienin A
The XLogP value of 4.2624 indicates that Ansatrienin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.1 Ų indicates high polarity, suggesting Ansatrienin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ansatrienin A 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 Ansatrienin A?
The CAS number of Ansatrienin A is 80111-47-3.
What is the molecular formula of Ansatrienin A?
The molecular formula of Ansatrienin A is C36H48N2O8.
What is the molecular weight of Ansatrienin A?
The molecular weight of Ansatrienin A is 636.34 g/mol.
Where can I buy Ansatrienin A?
You can request a quote for Ansatrienin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansatrienin A?
Yes, KEHONG BIO provides custom synthesis services for Ansatrienin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.