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CAS 869109-31-9 Diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate molecular structure lightbox
CAS RN: 869109-31-9

Diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate

  • Product code: SSC-196232
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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 869109-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

869109-31-9 / dipropan-2-yl 3-hydroxycyclobutane-1,1-dicarboxylate

Standard CAS: 869109-31-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
869109-31-9
Multi CAS
Yes
Molecular Formula
C12H20O5
Molecular Weight
244.280000
Exact Mass
244.131074
InChI
InChI=1S/C12H20O5/c1-7(2)16-10(14)12(5-9(13)6-12)11(15)17-8(3)4/h7-9,13H,5-6H2,1-4H3
InChIKey
KGJGEGCBWIXNRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.13
TPSA
72.83

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.5
Consensus LogP
1.15
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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