![Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate structure](/static/products/799/799806-85-2.png)
Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate
TL;DR: Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate (CAS 799806-85-2) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methylamino]benzoate
Also Known As: BAS 11177090, methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate, methyl 2-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino}benzoate, methyl 2-[(8,10-dioxo-7,11-dioxaspiro[5.5]undecan-9-ylidene)methylamino]benzoate
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 799806-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC=C2C(=O)OC3(CCCCC3)OC2=O |
| InChIKey | DGNHFACASXITDA-UHFFFAOYSA-N |
Product Overview
Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate (CAS 799806-85-2), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: methyl 2-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methylamino]benzoate.
Chemical Property Profile of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate
Property Insights of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate
The XLogP value of 3.9 indicates that Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate 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 Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate?
The CAS number of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate is 799806-85-2.
What is the molecular formula of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate?
The molecular formula of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate is C18H19NO6.
What is the molecular weight of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate?
The molecular weight of Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate is 345.12 g/mol.
Where can I buy Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate?
You can request a quote for Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.