Ansatrienin B
TL;DR: Ansatrienin B (CAS 82189-04-6) 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,13S,14R,15R)-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: Ansatrienin B, (5R,6E,8E,10E,13S,14R,15R,16Z)-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-(cyclohexylformamido)propanoate
| 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 | 82189-04-6 |
|---|---|
| SMILES | C[C@H]1[C@H](CC=CC=CC=C[C@@H](CC(=O)NC2=CC(=CC(=C2O)CCC=C([C@@H]1O)C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3 |
Product Overview
Ansatrienin B (CAS 82189-04-6), with molecular formula C36H50N2O8 and molecular weight 638.36 g/mol. IUPAC: [(5R,13S,14R,15R)-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 Ansatrienin B
Property Insights of Ansatrienin B
The XLogP value of 5.3864 indicates that Ansatrienin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.42 Ų indicates high polarity, suggesting Ansatrienin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ansatrienin B 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 Ansatrienin B?
The CAS number of Ansatrienin B is 82189-04-6.
What is the molecular formula of Ansatrienin B?
The molecular formula of Ansatrienin B is C36H50N2O8.
What is the molecular weight of Ansatrienin B?
The molecular weight of Ansatrienin B is 638.36 g/mol.
Where can I buy Ansatrienin B?
You can request a quote for Ansatrienin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansatrienin B?
Yes, KEHONG BIO provides custom synthesis services for Ansatrienin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.