aplysinketal A
TL;DR: aplysinketal A (CAS 129138-56-3) is a chemical compound with molecular formula C13H19Br2NO4 and molecular weight 410.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dibromo-4-butoxy-1-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)acetamide
Also Known As: aplysinketal A, (3,5-Dibromo-4-butoxy-1-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)ethanimidic acid, 2-(3,5-dibromo-4-butoxy-1-hydroxy-4-methoxy-1-cyclohexa-2,5-dienyl)acetamide, 2-(3,5-dibromo-4-butoxy-1-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)acetamide, 2-(3,5-Dibromo-4-butoxy-1-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)ethanimidic acid
| Molecular Formula | C13H19Br2NO4 |
|---|---|
| Molecular Weight | 410.97 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.96808 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 129138-56-3 |
|---|---|
| SMILES | CCCCOC1(C(=CC(C=C1Br)(CC(=O)N)O)Br)OC |
| InChIKey | IKUMLOOFWYUABH-UHFFFAOYSA-N |
Product Overview
aplysinketal A (CAS 129138-56-3), with molecular formula C13H19Br2NO4 and molecular weight 410.97 g/mol. IUPAC: 2-(3,5-dibromo-4-butoxy-1-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)acetamide.
Chemical Property Profile of aplysinketal A
Property Insights of aplysinketal A
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for aplysinketal A. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for aplysinketal A. Following Lipinski's Rule of Five, aplysinketal A 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
Frequently Asked Questions
What is the CAS number of aplysinketal A?
The CAS number of aplysinketal A is 129138-56-3.
What is the molecular formula of aplysinketal A?
The molecular formula of aplysinketal A is C13H19Br2NO4.
What is the molecular weight of aplysinketal A?
The molecular weight of aplysinketal A is 410.97 g/mol.
Where can I buy aplysinketal A?
You can request a quote for aplysinketal A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for aplysinketal A?
Yes, KEHONG BIO provides custom synthesis services for aplysinketal A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.