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CAS 822-39-9 2-Chloro-1,3,2-dioxaphospholane molecular structure lightbox
CAS RN: 822-39-9

2-Chloro-1,3,2-dioxaphospholane

  • Product code: SSC-190400
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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 822-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

822-39-9 / 2-chloro-1,3,2-dioxaphospholane

Standard CAS: 822-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
822-39-9
Multi CAS
Yes
Molecular Formula
C2H4CLO2P
Molecular Weight
126.480000
Exact Mass
125.963744
InChI
InChI=1S/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2
InChIKey
OLSFRDLMFAOSIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
24.68
TPSA
18.46

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
0.6
Consensus LogP
1.14
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.43

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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