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, 10g, 1g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
2150-45-0 / methyl 2,6-dihydroxybenzoate
Basic Information
CAS
2150-45-0
Multi CAS
No
Molecular Formula
C8H8O4
Molecular Weight
168.150000
Exact Mass
168.042259
SMILES
COC(=O)C1=C(C=CC=C1O)O
InChI
InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3
InChIKey
WCQZCKUNZVMBDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.11
TPSA
66.76
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
2
Consensus LogP
1.22
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.12
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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2,7,12-Triamino-5H-diindeno[1,2-a:1′,2′-c]fluorene-5,10,15-trione
- CAS RN: 209112-55-0
- Product Code: LINT887444
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![CAS 209112-55-0 2,7,12-Triamino-5H-diindeno[1,2-a:1′,2′-c]fluorene-5,10,15-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/209112-55-0.png)
