Hexadellin A
TL;DR: Hexadellin A (CAS 121135-00-0) is a chemical compound with molecular formula C21H23Br4N3O5 and molecular weight 712.8371 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: Hexadellin A, Araplysillin I, araplysillin 1, (5R,10S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide, (5R,10S)-N-{3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H23Br4N3O5 |
| Molecular Weight | 712.8371 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 712.8371 Da |
| Heavy Atoms | 33 |
| Complexity | 812.0 |
| SMILES | COC1=C([C@H]([C@@]2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)CCN)Br)C=C1Br)O)Br |
| InChIKey | DJOILUOUAWXGIG-CTNGQTDRSA-N |
Chemical Property Profile of Hexadellin A
Property Insights of Hexadellin A
The XLogP value of 3.0 indicates that Hexadellin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadellin A. Following Lipinski's Rule of Five, Hexadellin A has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexadellin A?
The CAS number of Hexadellin A is 121135-00-0.
What is the molecular formula of Hexadellin A?
The molecular formula of Hexadellin A is C21H23Br4N3O5.
What is the molecular weight of Hexadellin A?
The molecular weight of Hexadellin A is 712.8371 g/mol.
Where can I buy Hexadellin A?
You can request a quote for Hexadellin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadellin A?
Yes, CoreyChem provides custom synthesis services for Hexadellin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.