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[ CAS No. 10024-70-1 ] {[proInfo.proName]}

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Chemical Structure| 10024-70-1
Chemical Structure| 10024-70-1
Structure of 10024-70-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 10024-70-1 ]

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Product Details of [ 10024-70-1 ]

CAS No. :10024-70-1 MDL No. :MFCD00029817
Formula : C5H10O3 Boiling Point : -
Linear Structure Formula :- InChI Key :MXJDPWXQIVDAPH-UHFFFAOYSA-N
M.W : 118.13 Pubchem ID :24803
Synonyms :

Calculated chemistry of [ 10024-70-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 29.01
TPSA : 46.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.25
Log Po/w (XLOGP3) : 0.01
Log Po/w (WLOGP) : 0.5
Log Po/w (MLOGP) : 0.01
Log Po/w (SILICOS-IT) : 0.02
Consensus Log Po/w : 0.36

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -0.38
Solubility : 49.2 mg/ml ; 0.416 mol/l
Class : Very soluble
Log S (Ali) : -0.54
Solubility : 34.2 mg/ml ; 0.289 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.17
Solubility : 79.9 mg/ml ; 0.676 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.83

Safety of [ 10024-70-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501 UN#:3265
Hazard Statements:H315-H318-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 10024-70-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 10024-70-1 ]
  • Downstream synthetic route of [ 10024-70-1 ]

[ 10024-70-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 2648-57-9 ]
  • [ 124-41-4 ]
  • [ 107-93-7 ]
  • [ 10024-70-1 ]
  • [ 21983-72-2 ]
Reference: [1] Journal of Organic Chemistry, 1984, vol. 49, # 4, p. 679 - 682
[2] Journal of Organic Chemistry, 1984, vol. 49, # 4, p. 679 - 682
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Technical Information

• Acetal Formation • Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Chloride Hydrolysis • Amide Hydrolysis • Amide Hydrolysis • Anhydride Hydrolysis • Arndt-Eistert Homologation • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Decarboxylation of Substituted Propanedioic • Deprotection of Cbz-Amino Acids • Esters Are Reduced by LiAlH4 to Give Alcohols • Esters Hydrolyze to Carboxylic Acids and Alcohols • Ether Synthesis by Oxymercuration-Demercuration • Ethers Synthesis from Alcohols with Strong Acids • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Grignard Reagents Transform Esters into Alcohols • Heat of Combustion • Hunsdiecker-Borodin Reaction • Nitriles Hydrolyze to Carboxylic Acids • Nomenclature of Ethers • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Amines • Preparation of Carboxylic Acids • Preparation of Ethers • Primary Ether Cleavage with Strong Nucleophilic Acids • Reactions of Amines • Reactions of Carboxylic Acids • Reactions of Ethers • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Ring Opening of Oxacyclopropane • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Synthesis of Alcohols from Tertiary Ethers • The Conversion of Carboxylic Acids into Acyl Halides • The Nucleophilic Opening of Oxacyclopropanes • Ugi Reaction
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