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CAS 3914-45-2 2-(CHLOROMETHYL)-5-ETHYL-1,3,4-OXADIAZOLE molecular structure lightbox
CAS RN: 3914-45-2

2-(CHLOROMETHYL)-5-ETHYL-1,3,4-OXADIAZOLE

  • Product code: SSC-146764
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 3914-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 3 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g -- 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

3914-45-2 / 2-(chloromethyl)-5-ethyl-1,3,4-oxadiazole

Standard CAS: 3914-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3914-45-2
Multi CAS
No
Molecular Formula
C5H7CLN2O
Molecular Weight
146.570000
Exact Mass
146.024691
InChI
InChI=1S/C5H7ClN2O/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3
InChIKey
IBQLBYSHFYJCJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.23
TPSA
38.92

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.64

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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