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CAS 915920-27-3 CHEMBRDG-BB 4024019 molecular structure lightbox
CAS RN: 915920-27-3

CHEMBRDG-BB 4024019

  • Product code: SSC-204852
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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, 1g, 5g, 10g, 0.25g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 12
  • 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 915920-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g -- 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
0.25g -- 3 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
25g -- 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Hong Kong Inquiry

915920-27-3 / 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid

Standard CAS: 915920-27-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915920-27-3
Multi CAS
Yes
Molecular Formula
C12H10N2O3
Molecular Weight
230.220000
Exact Mass
230.069142
InChI
InChI=1S/C12H10N2O3/c15-12(16)9-5-1-7(2-6-9)10-13-11(17-14-10)8-3-4-8/h1-2,5-6,8H,3-4H2,(H,15,16)
InChIKey
VNTDAESCEVFXGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.67
TPSA
76.22

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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