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CAS 5011-96-1 (5-Methyl-[1,3,4]oxadiazol-2-yl)-acetic acid ethyl ester molecular structure lightbox
CAS RN: 5011-96-1

(5-Methyl-[1,3,4]oxadiazol-2-yl)-acetic acid ethyl ester

  • Product code: SSC-156519
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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: >97%
  • 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 5011-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
1g -- 1 In Stock Beijing Inquiry
5g -- 1 In Stock Beijing Inquiry

5011-96-1 / ethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate

Standard CAS: 5011-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5011-96-1
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
InChI
InChI=1S/C7H10N2O3/c1-3-11-7(10)4-6-9-8-5(2)12-6/h3-4H2,1-2H3
InChIKey
KKFUCWBAGCQOEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
39.37
TPSA
65.22

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.3
Consensus LogP
0.4
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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