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CAS 868-57-5 Methyl DL-2-Methylbutyrate molecular structure lightbox
CAS RN: 868-57-5

Methyl DL-2-Methylbutyrate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 5ml / 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Hebei 8-10 business days Inquiry
  • Product code: SSC-196067
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10ml, 100ml, 25ml, 500ml
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 868-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ≥98% 5 In Stock Beijing Inquiry
100ml ≥98% 5 In Stock Shenzhen Inquiry
25ml ≥98% 3 In Stock Beijing Inquiry
500ml ≥98% 1 In Stock Shanghai Inquiry

868-57-5 / methyl 2-methylbutanoate

Standard CAS: 868-57-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
868-57-5
Multi CAS
Yes
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
InChI
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey
OCWLYWIFNDCWRZ-UHFFFAOYSA-N

Physical Properties

Density
0.879-0.883
Physical Description
almost colourless liquid/sweet, fruity, apple-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31.47
TPSA
26.3

LogP / Solubility

WLOGP
1.21
MLOGP
1.05
XLogP3
1.5
Consensus LogP
1.25
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble

ADME

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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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