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CAS 4359-57-3 2-Heptyl-1,3-dioxolane molecular structure lightbox
CAS RN: 4359-57-3

2-Heptyl-1,3-dioxolane

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260319 25g In stock Inquiry
Batchno.20250203 5g In stock Inquiry
  • Product code: SSC-151731
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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 4359-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

4359-57-3 / 2-heptyl-1,3-dioxolane

Standard CAS: 4359-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4359-57-3
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3
InChIKey
LWJBQKKNODYJEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
49.07
TPSA
18.46

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
3.3
Consensus LogP
2.8
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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