1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-
TL;DR: 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- (CAS 85819-66-5) is a chemical compound with molecular formula C21H23Br4N3O6 and molecular weight 728.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-8,10-dibromo-4-hydroxy-9-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide
Also Known As: 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-, (1S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-8,10-dibromo-1-hydroxy-9-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide, (4S,5S)-N-{3-[4-(2-Aminoethyl)-2,6-dibromophenoxy]propyl}-7,9-dibromo-4-hydroxy-8-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide
| Molecular Formula | C21H23Br4N3O6 |
|---|---|
| Molecular Weight | 728.83 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 728.83203 |
| Heavy Atoms | 34 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 85819-66-5 |
|---|---|
| SMILES | COC1=C(O[C@]2(CC=C1Br)[C@H](C(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)CCN)Br)O)Br |
| InChIKey | LZDGGKDWQDXGPK-RXVVDRJESA-N |
Product Overview
1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- (CAS 85819-66-5), with molecular formula C21H23Br4N3O6 and molecular weight 728.83 g/mol. IUPAC: (4S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-8,10-dibromo-4-hydroxy-9-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide.
Chemical Property Profile of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-
Property Insights of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-
The XLogP value of 4.6 indicates that 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-. Following Lipinski's Rule of Five, 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- has 3 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 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-?
The CAS number of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- is 85819-66-5.
What is the molecular formula of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-?
The molecular formula of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- is C21H23Br4N3O6.
What is the molecular weight of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-?
The molecular weight of 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- is 728.83 g/mol.
Where can I buy 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-?
You can request a quote for 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dioxa-2-azaspiro(4.6)undeca-2,7,9-triene-3-carboxamide,N-(3-(4-(2-aminoethyl)-2,6-dibromophenoxy)propyl)-8,10-dibromo-4-hydroxy-9-methoxy-, (4R,5R)-rel-(-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.