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CAS 98974-89-1 1,2:4,5-Di-O-isopropylidene-D,L-myo-inositol molecular structure lightbox
CAS RN: 98974-89-1

1,2:4,5-Di-O-isopropylidene-D,L-myo-inositol

  • Product code: SSC-212896
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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 98974-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

98974-89-1 / (1S,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol

Standard CAS: 98974-89-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98974-89-1
Multi CAS
Yes
Molecular Formula
C12H20O6
Molecular Weight
260.280000
Exact Mass
260.125988
InChI
InChI=1S/C12H20O6/c1-11(2)15-7-5(13)9-10(6(14)8(7)16-11)18-12(3,4)17-9/h5-10,13-14H,1-4H3/t5?,6?,7-,8-,9-,10+/m1/s1
InChIKey
LDPFQVWIUACVFE-IJABSKIDSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
59.66
TPSA
77.38

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.2
XLogP3
-0.6
Consensus LogP
-0.35
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-4.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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