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CAS 61821-86-1 (R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-one molecular structure lightbox
CAS RN: 61821-86-1

(R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-one

  • Product code: SSC-170784
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61821-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

61821-86-1 / 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

Standard CAS: 61821-86-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61821-86-1
Multi CAS
Yes
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6H,4H2,1-3H3/t6-/m1/s1
InChIKey
VNEBKVJPKDAIIM-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.59
TPSA
35.53

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.2
Consensus LogP
0.52
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.08

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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