Aplysinimine
TL;DR: Aplysinimine (CAS 129138-55-2) is a chemical compound with molecular formula C9H7Br2NO2 and molecular weight 318.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dibromo-6-methoxy-3H-1-benzofuran-2-imine
Also Known As: aplysinimine, 2(3H)-Benzofuranimine, 5,7-dibromo-6-methoxy-, 5,7-dibromo-6-methoxy-3H-1-benzofuran-2-imine, 5,7-dibromo-6-methoxy-3H-benzofuran-2-imine, 5,7-Dibromo-6-methoxy-1-benzofuran-2(3H)-imine
| Molecular Formula | C9H7Br2NO2 |
|---|---|
| Molecular Weight | 318.88 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.88434 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 129138-55-2 |
|---|---|
| SMILES | COC1=C(C=C2CC(=N)OC2=C1Br)Br |
| InChIKey | YWNFAVCRETYBMJ-UHFFFAOYSA-N |
Product Overview
Aplysinimine (CAS 129138-55-2), with molecular formula C9H7Br2NO2 and molecular weight 318.88 g/mol. IUPAC: 5,7-dibromo-6-methoxy-3H-1-benzofuran-2-imine.
Chemical Property Profile of Aplysinimine
Property Insights of Aplysinimine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aplysinimine. With a topological polar surface area (TPSA) of 42.3 Ų, Aplysinimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aplysinimine has 1 hydrogen bond donor(s) and 3 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 Aplysinimine?
The CAS number of Aplysinimine is 129138-55-2.
What is the molecular formula of Aplysinimine?
The molecular formula of Aplysinimine is C9H7Br2NO2.
What is the molecular weight of Aplysinimine?
The molecular weight of Aplysinimine is 318.88 g/mol.
Where can I buy Aplysinimine?
You can request a quote for Aplysinimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysinimine?
Yes, KEHONG BIO provides custom synthesis services for Aplysinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.