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CAS 5638-58-4 2-Chloro-1,3,2-oxazaphosphacyclohexane 2-oxide molecular structure lightbox
CAS RN: 5638-58-4

2-Chloro-1,3,2-oxazaphosphacyclohexane 2-oxide

  • Product code: SSC-164346
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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 5638-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

5638-58-4 / 2-chloro-1,3,2lambda5-oxazaphosphinane 2-oxide

Standard CAS: 5638-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5638-58-4
Multi CAS
No
Molecular Formula
C3H7CLNO2P
Molecular Weight
155.520000
Exact Mass
154.990293
InChI
InChI=1S/C3H7ClNO2P/c4-8(6)5-2-1-3-7-8/h1-3H2,(H,5,6)
InChIKey
KTJQXXIVWRXBCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.03
TPSA
38.33

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.1
Consensus LogP
0.87
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.72

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
2

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