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CAS 3972-25-6 2-METHYL-2-PROPAN(OL-D) molecular structure lightbox
CAS RN: 3972-25-6

2-METHYL-2-PROPAN(OL-D)

  • Product code: SSC-147441
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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 3972-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

3972-25-6 / 2-deuteriooxy-2-methylpropane

Standard CAS: 3972-25-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3972-25-6
Multi CAS
Yes
Molecular Formula
C4H10O
Molecular Weight
75.130000
Exact Mass
75.079442
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D
InChIKey
DKGAVHZHDRPRBM-UICOGKGYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
21.97
TPSA
20.23

LogP / Solubility

WLOGP
0.78
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.65
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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