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CAS 37031-30-4 Dimethyl (+)-2,3-O-Isopropylidene-D-tartrate molecular structure lightbox
CAS RN: 37031-30-4

Dimethyl (+)-2,3-O-Isopropylidene-D-tartrate

  • Product code: SSC-144326
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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: 5g
  • 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 37031-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

37031-30-4 / dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate

Standard CAS: 37031-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37031-30-4
Multi CAS
Yes
Molecular Formula
C9H14O6
Molecular Weight
218.200000
Exact Mass
218.079038
InChI
InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3
InChIKey
ROZOUYVVWUTPNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
47.86
TPSA
71.06

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
0.3
Consensus LogP
0.01
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-4.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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