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CAS 39885-57-9 2H-1,3-Oxazine-3(4H)-carbonyl chloride, dihydro- (9CI) molecular structure lightbox
CAS RN: 39885-57-9

2H-1,3-Oxazine-3(4H)-carbonyl chloride, dihydro- (9CI)

  • Product code: SSC-147657
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39885-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry

39885-57-9 / 1,3-oxazinane-3-carbonyl chloride

Standard CAS: 39885-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39885-57-9
Multi CAS
No
Molecular Formula
C5H8CLNO2
Molecular Weight
149.570000
Exact Mass
149.024356
InChI
InChI=1S/C5H8ClNO2/c6-5(8)7-2-1-3-9-4-7/h1-4H2
InChIKey
JLEDGKYJFOSDFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
33.39
TPSA
29.54

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
0.9
Consensus LogP
0.94
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.9

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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