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CAS 10221-57-5 1,2-DIETHOXYPROPANE molecular structure lightbox
CAS RN: 10221-57-5

1,2-DIETHOXYPROPANE

  • Product code: SSC-003493
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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 10221-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

10221-57-5 / 1,2-diethoxypropane

1,2-diethoxypropane | DTXSID70907259 | RefChem:411615

Standard CAS: 10221-57-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10221-57-5
Multi CAS
No
Molecular Formula
C7H16O2
Molecular Weight
132.200000
Exact Mass
132.115030
SMILES
CCOCC(C)OCC
InChI
InChI=1S/C7H16O2/c1-4-8-6-7(3)9-5-2/h7H,4-6H2,1-3H3
InChIKey
VPBZZPOGZPKYKX-UHFFFAOYSA-N
Synonyms
1,2-diethoxypropane DTXSID70907259 RefChem:411615 DTXCID201336349 412-180-1

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
37.58
TPSA
18.46

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.1
Consensus LogP
1.27
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.32
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H225: Highly Flammable liquid and vapor [Danger Flammable liquids] H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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