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CAS 74338-98-0 (+/-)-1-TERT-BUTYLGLYCEROL molecular structure lightbox
CAS RN: 74338-98-0

(+/-)-1-TERT-BUTYLGLYCEROL

  • Product code: SSC-183781
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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 74338-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

74338-98-0 / 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol

Standard CAS: 74338-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74338-98-0
Multi CAS
No
Molecular Formula
C7H16O3
Molecular Weight
148.200000
Exact Mass
148.109944
InChI
InChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3
InChIKey
JPWDLYMEUNBLIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.8
TPSA
49.69

LogP / Solubility

WLOGP
0.15
MLOGP
0.13
XLogP3
-0.2
Consensus LogP
0.03
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
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)
-3.51

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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