AB00114454-01
TL;DR: AB00114454-01 (CAS 370848-93-4) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: AB00114454-01, 3-(((2-methyl-4-nitrophenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, F1155-0411, 3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-{[(2-methyl-4-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.95942 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 742.4016 |
Chemical Identifiers
| CAS Number | 370848-93-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C2C(=O)OC3(CCCCC3)OC2=O |
Product Overview
AB00114454-01 (CAS 370848-93-4), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: 3-[(2-methyl-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of AB00114454-01
Property Insights of AB00114454-01
The XLogP value of 2.95942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00114454-01. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114454-01. Following Lipinski's Rule of Five, AB00114454-01 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 AB00114454-01?
The CAS number of AB00114454-01 is 370848-93-4.
What is the molecular formula of AB00114454-01?
The molecular formula of AB00114454-01 is C17H18N2O6.
What is the molecular weight of AB00114454-01?
The molecular weight of AB00114454-01 is 346.12 g/mol.
Where can I buy AB00114454-01?
You can request a quote for AB00114454-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114454-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114454-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.