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CAS 2428-06-0 2-CHLORO-5 5-DIMETHYL-1 3 2-DIOXAPHOSPHO molecular structure lightbox
CAS RN: 2428-06-0

2-CHLORO-5 5-DIMETHYL-1 3 2-DIOXAPHOSPHO

  • Product code: SSC-118433
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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 2428-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2428-06-0 / 2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane

Standard CAS: 2428-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2428-06-0
Multi CAS
No
Molecular Formula
C5H10ClO2P
Molecular Weight
168.560000
Exact Mass
168.010694
SMILES
CC1(COP(OC1)Cl)C
InChI
InChI=1S/C5H10ClO2P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3
InChIKey
RAOZVFGTRXLBTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
38.46
TPSA
18.46

LogP / Solubility

WLOGP
2.53
MLOGP
2.22
XLogP3
1.8
Consensus LogP
2.18
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-1.96

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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