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CAS 344399-17-3 2-Oxazolecarbonyl chloride, 4,5-dimethyl- (9CI) molecular structure lightbox
CAS RN: 344399-17-3

2-Oxazolecarbonyl chloride, 4,5-dimethyl- (9CI)

  • Product code: SSC-140902
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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 344399-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

344399-17-3 / 4,5-dimethyl-1,3-oxazole-2-carbonyl chloride

Standard CAS: 344399-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344399-17-3
Multi CAS
No
Molecular Formula
C6H6CLNO2
Molecular Weight
159.570000
Exact Mass
159.008706
InChI
InChI=1S/C6H6ClNO2/c1-3-4(2)10-6(8-3)5(7)9/h1-2H3
InChIKey
JYWHEWHPWFHDNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.16
TPSA
43.1

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
2
Consensus LogP
1.71
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.51

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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