Aplysinamisine III
TL;DR: Aplysinamisine III (CAS 150417-69-9) is a chemical compound with molecular formula C23H25Br4N3O7 and molecular weight 770.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[4-(2-acetamido-1-hydroxyethyl)-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: Aplysinamisine III, Aplysinamisine-III, N-[3-[4-(2-acetamido-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide, 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-(acetylamino)-1-hydroxyethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, N-(2-{3,5-Dibromo-4-[3-(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamido)propoxy]phenyl}-2-hydroxyethyl)ethanimidic acid
| Molecular Formula | C23H25Br4N3O7 |
|---|---|
| Molecular Weight | 770.84 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 770.8426 |
| Heavy Atoms | 37 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 150417-69-9 |
|---|---|
| SMILES | CC(=O)NCC(C1=CC(=C(C(=C1)Br)OCCCNC(=O)C2=NOC3(C2)C=C(C(=C(C3O)Br)OC)Br)Br)O |
| InChIKey | WGLJDQYUOYCSPY-UHFFFAOYSA-N |
Product Overview
Aplysinamisine III (CAS 150417-69-9), with molecular formula C23H25Br4N3O7 and molecular weight 770.84 g/mol. IUPAC: N-[3-[4-(2-acetamido-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
Chemical Property Profile of Aplysinamisine III
Property Insights of Aplysinamisine III
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aplysinamisine III. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aplysinamisine III. Following Lipinski's Rule of Five, Aplysinamisine III has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aplysinamisine III?
The CAS number of Aplysinamisine III is 150417-69-9.
What is the molecular formula of Aplysinamisine III?
The molecular formula of Aplysinamisine III is C23H25Br4N3O7.
What is the molecular weight of Aplysinamisine III?
The molecular weight of Aplysinamisine III is 770.84 g/mol.
Where can I buy Aplysinamisine III?
You can request a quote for Aplysinamisine III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysinamisine III?
Yes, KEHONG BIO provides custom synthesis services for Aplysinamisine III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.