aplysinketal B
TL;DR: aplysinketal B (CAS 129138-57-4) is a chemical compound with molecular formula C14H21Br2NO4 and molecular weight 424.98373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dibromo-1-hydroxy-4-methoxy-4-pentoxycyclohexa-2,5-dien-1-yl)acetamide
Also Known As: aplysinketal B, [3,5-Dibromo-1-hydroxy-4-methoxy-4-(pentyloxy)cyclohexa-2,5-dien-1-yl]ethanimidic acid, 2,5-Cyclohexadiene-1-acetamide, 3,5-dibromo-1-hydroxy-4-methoxy-4-(pentyloxy)-, cis, 2-(3,5-dibromo-1-hydroxy-4-methoxy-4-pentoxy-1-cyclohexa-2,5-dienyl)acetamide, 2-(3,5-dibromo-1-hydroxy-4-methoxy-4-pentoxycyclohexa-2,5-dien-1-yl)acetamide
Technical Specifications
| Molecular Formula | C14H21Br2NO4 |
| Molecular Weight | 424.98373 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.98373 Da |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
| SMILES | CCCCCOC1(C(=CC(C=C1Br)(CC(=O)N)O)Br)OC |
| InChIKey | MOVFJJINDJVLDR-UHFFFAOYSA-N |
Chemical Property Profile of aplysinketal B
Property Insights of aplysinketal B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for aplysinketal B. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for aplysinketal B. Following Lipinski's Rule of Five, aplysinketal B has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of aplysinketal B?
The CAS number of aplysinketal B is 129138-57-4.
What is the molecular formula of aplysinketal B?
The molecular formula of aplysinketal B is C14H21Br2NO4.
What is the molecular weight of aplysinketal B?
The molecular weight of aplysinketal B is 424.98373 g/mol.
Where can I buy aplysinketal B?
You can request a quote for aplysinketal B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for aplysinketal B?
Yes, CoreyChem provides custom synthesis services for aplysinketal B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.