AB00105330-01
TL;DR: AB00105330-01 (CAS 425655-91-0) is a chemical compound with molecular formula C17H17NO8 and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione
Also Known As: AB00105330-01, 2-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione, 2-butyl-2-methyl-5-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-1,3-dioxane-4,6-dione, 2-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-1,3-dioxane-4,6-dione
| Molecular Formula | C17H17NO8 |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 2.7133 |
| Topological Polar Surface Area | 114.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.09543 |
| Heavy Atoms | 26 |
| Complexity | 793.2261 |
Chemical Identifiers
| CAS Number | 425655-91-0 |
|---|---|
| SMILES | CCCCC1(OC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O1)C |
Product Overview
AB00105330-01 (CAS 425655-91-0), with molecular formula C17H17NO8 and molecular weight 363.10 g/mol. IUPAC: 2-butyl-2-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-dioxane-4,6-dione.
Chemical Property Profile of AB00105330-01
Property Insights of AB00105330-01
The XLogP value of 2.7133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105330-01. The TPSA of 114.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105330-01. Following Lipinski's Rule of Five, AB00105330-01 has 0 hydrogen bond donor(s) and 8 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 AB00105330-01?
The CAS number of AB00105330-01 is 425655-91-0.
What is the molecular formula of AB00105330-01?
The molecular formula of AB00105330-01 is C17H17NO8.
What is the molecular weight of AB00105330-01?
The molecular weight of AB00105330-01 is 363.10 g/mol.
Where can I buy AB00105330-01?
You can request a quote for AB00105330-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105330-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105330-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.