CAS RN: 20187-55-7
Bendazac
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
- Product code: SSC-095140
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: 1g, 25g, 100g, 5g, 0.25g, 10g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 3 In Stock | Beijing | Inquiry |
| 100g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 1 In Stock | Shenzhen | Inquiry |
20187-55-7 / 2-(1-benzylindazol-3-yl)oxyacetic acid
Basic Information
CAS
20187-55-7
Multi CAS
No
Molecular Formula
C16H14N2O3
Molecular Weight
282.290000
Exact Mass
282.100442
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O
InChI
InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKey
BYFMCKSPFYVMOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.41
TPSA
64.35
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.63
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly 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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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