38496-02-5

Basic information

• Product Name: 1-[2-[2-(Dimethylamino)-3-phenylpropanoylamino]-3-methylpentanoyl]-2,3,3a,13,14,15a-hexahydro-13-(1-methylpropyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione
• Synonyms: 1-[2-[2-(Dimethylamino)-3-phenylpropanoylamino]-3-methylpentanoyl]-2,3,3a,13,14,15a-hexahydro-13-(1-methylpropyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione;Amphibine D;α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-13-(1-methylpropyl)-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
• CAS NO: 38496-02-5
• Molecular Weight: 0
• Mol File: 38496-02-5.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-[2-[2-(Dimethylamino)-3-phenylpropanoylamino]-3-methylpentanoyl]-2,3,3a,13,14,15a-hexahydro-13-(1-methylpropyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2-[2-(Dimethylamino)-3-phenylpropanoylamino]-3-methylpentanoyl]-2,3,3a,13,14,15a-hexahydro-13-(1-methylpropyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione(38496-02-5)
• EPA Substance Registry System: 1-[2-[2-(Dimethylamino)-3-phenylpropanoylamino]-3-methylpentanoyl]-2,3,3a,13,14,15a-hexahydro-13-(1-methylpropyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-12,15(1H,11H)-dione(38496-02-5)

Safety Data

• Hazardous Substances Data: 38496-02-5(Hazardous Substances Data)

Usage

Molecular weight

654.99 g/mol

Functional groups

Amides, amines, esters, and heterocycles

Molecular framework

Pyrrolo-oxadiazacyclotetradecine core

Structural features

Dimethylamino group
Phenylpropanoyl group
Methylpentanoyl group
Hexahydro ring system
Methylpropyl substituent
Ethenopyrrolo ring
Oxadiazacyclotetradecine ring
1H and 11H tautomeric forms

Potential applications

Pharmaceuticals
Materials science
Chemical synthesis

Solubility

Likely soluble in organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO)

Stability

May be sensitive to heat, light, and moisture

Reactivity

Could potentially react with acids, bases, and nucleophiles due to the presence of amide and amine functional groups

Polarity

The presence of multiple polar functional groups suggests that the molecule is likely polar

LogP (octanol-water partition coefficient)

Not readily available, but the molecule's size and complexity suggest it may have a high LogP value, indicating potential lipophilicity

Bioavailability

The complex structure and potential for multiple hydrogen bonding interactions may affect its bioavailability and membrane permeability

Toxicity

Not readily available, but the presence of various functional groups and the molecule's complexity may suggest potential toxicity, which would need to be evaluated through appropriate testing

Synthesizability

The complex structure suggests that the synthesis of this molecule may be challenging and require multiple steps and protecting group strategies
Please note that some of the properties mentioned above are inferred based on the molecular structure and the presence of specific functional groups. Experimental data would be required to confirm these properties and further explore the compound's potential applications.