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CAS 25018-67-1 1,2:4,5-DI-O-ISOPROPYLIDENE-BETA-D-FRUCTOPYRANOSE molecular structure lightbox
CAS RN: 25018-67-1

1,2:4,5-DI-O-ISOPROPYLIDENE-BETA-D-FRUCTOPYRANOSE

  • Product code: SSC-120409
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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 25018-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

25018-67-1 / 2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol

Standard CAS: 25018-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25018-67-1
Multi CAS
No
Molecular Formula
C12H20O6
Molecular Weight
260.280000
Exact Mass
260.125988
SMILES
CC1(OCC2(O1)C(C3C(CO2)OC(O3)(C)C)O)C
InChI
InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-9,13H,5-6H2,1-4H3
InChIKey
NFHXOQDPQIQPKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.63
TPSA
66.38

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
-0.3
Consensus LogP
0.14
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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