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CAS 16083-94-6 1,2,2,3,4,4 Hexamethylphosphetane 1-oxide molecular structure lightbox
CAS RN: 16083-94-6

1,2,2,3,4,4 Hexamethylphosphetane 1-oxide

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 100mg In stock Inquiry
Batchno.20250302 500mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16083-94-6
  • Purity/Analytical Methods: >99.0%
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16083-94-6 / 1,2,2,3,4,4-hexamethyl-1lambda5-phosphetane 1-oxide

Standard CAS: 16083-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16083-94-6
Multi CAS
No
Molecular Formula
C9H19OP
Molecular Weight
174.220000
Exact Mass
174.117352
SMILES
CC1C(P(=O)(C1(C)C)C)(C)C
InChI
InChI=1S/C9H19OP/c1-7-8(2,3)11(6,10)9(7,4)5/h7H,1-6H3
InChIKey
VZDDSVNSOUGNBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
50.85
TPSA
17.07

LogP / Solubility

WLOGP
3.19
MLOGP
2.8
XLogP3
1.2
Consensus LogP
2.4
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.52

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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