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CAS 50741-70-3 1-methoxybutan-2-one molecular structure lightbox
CAS RN: 50741-70-3

1-methoxybutan-2-one

  • Product code: SSC-157457
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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: 0.1g, 0.25g, 1g, 10g, 25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 50741-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry

50741-70-3 / 1-methoxybutan-2-one

Standard CAS: 50741-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50741-70-3
Multi CAS
No
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
InChI
InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3-4H2,1-2H3
InChIKey
AKXHGJCMQJQWMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
27.17
TPSA
26.3

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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