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CAS 39885-55-7 3-Oxazolidinecarbonyl chloride, 4,4-dimethyl- (9CI) molecular structure lightbox
CAS RN: 39885-55-7

3-Oxazolidinecarbonyl chloride, 4,4-dimethyl- (9CI)

  • Product code: SSC-147656
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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 39885-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

39885-55-7 / 4,4-dimethyl-1,3-oxazolidine-3-carbonyl chloride

Standard CAS: 39885-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39885-55-7
Multi CAS
No
Molecular Formula
C6H10CLNO2
Molecular Weight
163.600000
Exact Mass
163.040006
InChI
InChI=1S/C6H10ClNO2/c1-6(2)3-10-4-8(6)5(7)9/h3-4H2,1-2H3
InChIKey
PFUKZLROXBQEGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
37.99
TPSA
29.54

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.1
Consensus LogP
1.25
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.71

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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