Aplysinamisine I
TL;DR: Aplysinamisine I (CAS 150417-67-7) is a chemical compound with molecular formula C16H17Br2N5O4 and molecular weight 500.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: Aplysinamisine I, Aplysinamisine-I, (6R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide, (10R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide, 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)-2-propenyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-(3(Z),5alpha,10beta))-
| Molecular Formula | C16H17Br2N5O4 |
|---|---|
| Molecular Weight | 500.96 g/mol |
| LogP | 1.5426 |
| Topological Polar Surface Area | 134.85 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.96472 |
| Heavy Atoms | 27 |
| Complexity | 875.9166 |
Chemical Identifiers
| CAS Number | 150417-67-7 |
|---|---|
| SMILES | COC1=C([C@@H](C2(CC(=NO2)C(=O)NC/C=C/C3=CN=C(N3)N)C=C1Br)O)Br |
Product Overview
Aplysinamisine I (CAS 150417-67-7), with molecular formula C16H17Br2N5O4 and molecular weight 500.96 g/mol. IUPAC: (6R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-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 I
Property Insights of Aplysinamisine I
The XLogP value of 1.5426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aplysinamisine I. The TPSA of 134.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Aplysinamisine I. Following Lipinski's Rule of Five, Aplysinamisine I has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aplysinamisine I?
The CAS number of Aplysinamisine I is 150417-67-7.
What is the molecular formula of Aplysinamisine I?
The molecular formula of Aplysinamisine I is C16H17Br2N5O4.
What is the molecular weight of Aplysinamisine I?
The molecular weight of Aplysinamisine I is 500.96 g/mol.
Where can I buy Aplysinamisine I?
You can request a quote for Aplysinamisine I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysinamisine I?
Yes, KEHONG BIO provides custom synthesis services for Aplysinamisine I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.