AB00115413-01
TL;DR: AB00115413-01 (CAS 384356-14-3) is a chemical compound with molecular formula C16H15BrN2O6 and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-bromo-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: AB00115413-01, 3-{[(2-bromo-4-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-(((2-bromo-4-nitrophenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-{[(2-bromo-4-nitrophenyl)amino]methylene}-1,5-dioxaspiro[5.5]undecane-2,4-dione, 9-[(2-bromo-4-nitroanilino)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione
| Molecular Formula | C16H15BrN2O6 |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 3.4135 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.01135 |
| Heavy Atoms | 25 |
| Complexity | 747.8885 |
Chemical Identifiers
| CAS Number | 384356-14-3 |
|---|---|
| SMILES | C1CCC2(CC1)OC(=O)C(=CNC3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)O2 |
Product Overview
AB00115413-01 (CAS 384356-14-3), with molecular formula C16H15BrN2O6 and molecular weight 410.01 g/mol. IUPAC: 3-[(2-bromo-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of AB00115413-01
Property Insights of AB00115413-01
The XLogP value of 3.4135 indicates that AB00115413-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115413-01. Following Lipinski's Rule of Five, AB00115413-01 has 1 hydrogen bond donor(s) and 7 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 AB00115413-01?
The CAS number of AB00115413-01 is 384356-14-3.
What is the molecular formula of AB00115413-01?
The molecular formula of AB00115413-01 is C16H15BrN2O6.
What is the molecular weight of AB00115413-01?
The molecular weight of AB00115413-01 is 410.01 g/mol.
Where can I buy AB00115413-01?
You can request a quote for AB00115413-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115413-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115413-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.