Agelastatin A
TL;DR: Agelastatin A (CAS 152406-28-5) is a chemical compound with molecular formula C12H13BrN4O3 and molecular weight 340.0171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9S,10S,14S)-3-bromo-14-hydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
Also Known As: Agelastatin A, (-)-Agelastatin A, Agelastatine A, AglA, (1R,9S,10S,14S)-3-bromo-14-hydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13BrN4O3 |
| Molecular Weight | 340.0171 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.0171 Da |
| Heavy Atoms | 20 |
| Complexity | 503.0 |
| SMILES | CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)C4=CC=C(N34)Br)O |
| InChIKey | MPASKXAEPUAMBS-WJOUQXRDSA-N |
Chemical Property Profile of Agelastatin A
Property Insights of Agelastatin A
The XLogP value of -0.3 indicates that Agelastatin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelastatin A. Following Lipinski's Rule of Five, Agelastatin A has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Agelastatin A?
The CAS number of Agelastatin A is 152406-28-5.
What is the molecular formula of Agelastatin A?
The molecular formula of Agelastatin A is C12H13BrN4O3.
What is the molecular weight of Agelastatin A?
The molecular weight of Agelastatin A is 340.0171 g/mol.
Where can I buy Agelastatin A?
You can request a quote for Agelastatin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agelastatin A?
Yes, CoreyChem provides custom synthesis services for Agelastatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.