Aplysistatin
TL;DR: Aplysistatin (CAS 62003-89-8) is a chemical compound with molecular formula C15H21BrO3 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aS,7S,9aS,10aR)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one
Also Known As: Aplysistatin, Mainly marine derived natural product, (5aS,7S,9aS,10aR)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one, (3aR,4aS,7S,8aS)-7-Bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-furo[3,4-b][1]benzoxepin-1(3H)-one, Furo(3,4-b)(1)benzoxepin-1(3H)-one, 7-bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-, (3aR-(3aalpha,4abeta,7beta,8aalpha))-
| Molecular Formula | C15H21BrO3 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.0674 |
| Heavy Atoms | 19 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 62003-89-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC=C3[C@@H](O2)COC3=O)(C)C)Br |
| InChIKey | BEMNKPXNGWTBLQ-ASHKBJFXSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aplysistatin (CAS 62003-89-8), with molecular formula C15H21BrO3 and molecular weight 328.07 g/mol. IUPAC: (5aS,7S,9aS,10aR)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one.
Chemical Property Profile of Aplysistatin
Property Insights of Aplysistatin
The XLogP value of 3.2 indicates that Aplysistatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Aplysistatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aplysistatin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aplysistatin?
The CAS number of Aplysistatin is 62003-89-8.
What is the molecular formula of Aplysistatin?
The molecular formula of Aplysistatin is C15H21BrO3.
What is the molecular weight of Aplysistatin?
The molecular weight of Aplysistatin is 328.07 g/mol.
Where can I buy Aplysistatin?
You can request a quote for Aplysistatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysistatin?
Yes, KEHONG BIO provides custom synthesis services for Aplysistatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.