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CAS 86357-13-3 1,3-Diacetoxy-2-(acetoxymethoxy)propane molecular structure lightbox
CAS RN: 86357-13-3

1,3-Diacetoxy-2-(acetoxymethoxy)propane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-195317
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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: 100g
  • Available purity: ＞97%
  • 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 86357-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

86357-13-3 / [3-acetyloxy-2-(acetyloxymethoxy)propyl] acetate

Standard CAS: 86357-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86357-13-3
Multi CAS
Yes
Molecular Formula
C10H16O7
Molecular Weight
248.230000
Exact Mass
248.089603
InChI
InChI=1S/C10H16O7/c1-7(11)14-4-10(5-15-8(2)12)17-6-16-9(3)13/h10H,4-6H2,1-3H3
InChIKey
DUOPMEBLLUYTNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
54.77
TPSA
88.13

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
-0.1
Consensus LogP
-0.02
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22

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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