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CAS 7575-33-9 2-chloro-3.3-diethoxyprop-1-ene molecular structure lightbox
CAS RN: 7575-33-9

2-chloro-3.3-diethoxyprop-1-ene

  • Product code: SSC-185199
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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 7575-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

7575-33-9 / 2-chloro-3,3-diethoxyprop-1-ene

Standard CAS: 7575-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7575-33-9
Multi CAS
No
Molecular Formula
C7H13CLO2
Molecular Weight
164.630000
Exact Mass
164.060407
InChI
InChI=1S/C7H13ClO2/c1-4-9-7(6(3)8)10-5-2/h7H,3-5H2,1-2H3
InChIKey
DDHSHXNOKGEBMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
42.03
TPSA
18.46

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.21

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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