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Chemistry
Organic Building Blocks
Piperazines
cyclopentane
(R)-tert-Butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks Asymmetric Synthesis
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Amides Ketones Other Aromatic Heterocycles Aliphatic Cyclic Hydrocarbons Chiral Building Blocks
cyclopentane

[ CAS No. 1001180-21-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1001180-21-7
Chemical Structure| 1001180-21-7
Structure of 1001180-21-7 * Storage: {[proInfo.prStorage]}

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For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1001180-21-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1001180-21-7 ]

SDS Specification
Alternatived Products of [ 1001180-21-7 ]
Product Citations

Product Details of [ 1001180-21-7 ]

CAS No. :1001180-21-7 MDL No. :MFCD28987390
Formula : C17H24N4O3 Boiling Point : -
Linear Structure Formula :- InChI Key :FYSLHZSJYXKKMC-LLVKDONJSA-N
M.W : 332.40 Pubchem ID :59580350
Synonyms :

Calculated chemistry of [ 1001180-21-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.65
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 97.09
TPSA : 75.63 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.86
Log Po/w (XLOGP3) : 1.72
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : 0.98
Log Po/w (SILICOS-IT) : 1.52
Consensus Log Po/w : 1.71

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.91
Solubility : 0.413 mg/ml ; 0.00124 mol/l
Class : Soluble
Log S (Ali) : -2.92
Solubility : 0.396 mg/ml ; 0.00119 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.18
Solubility : 0.219 mg/ml ; 0.000659 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.62

Safety of [ 1001180-21-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 1001180-21-7 synthesis path| 1001180-21-7 SDS| 1001180-21-7 COA| 1001180-21-7 purity| 1001180-21-7 application| 1001180-21-7 NMR| 1001180-21-7 COA| 1001180-21-7 structure

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Chemistry
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Aliphatic Cyclic Hydrocarbons
cyclopentane
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Other Aromatic Heterocycles
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Chemistry
Organic Building Blocks
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Ketones

Technical Information

• Acyl Group Substitution • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Chan-Lam Coupling Reaction • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • Grignard Reaction • Halogenation • Heat of Combustion • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Amines • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 1001180-21-7 ]

Amides

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[ 1001180-21-7 ]

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4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine

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