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CAS 35457-02-4 2-(MethoxyMethyl)cyclopentanone molecular structure lightbox
CAS RN: 35457-02-4

2-(MethoxyMethyl)cyclopentanone

  • Product code: SSC-142464
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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
  • 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 35457-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g -- 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry

35457-02-4 / 2-(methoxymethyl)cyclopentan-1-one

Standard CAS: 35457-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35457-02-4
Multi CAS
No
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
InChI
InChI=1S/C7H12O2/c1-9-5-6-3-2-4-7(6)8/h6H,2-5H2,1H3
InChIKey
FKCLMQUCTCXGAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
34.22
TPSA
26.3

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.3
Consensus LogP
0.72
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.79

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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