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: 0.05g, 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.05g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
258331-10-1 / tert-butyl 2-(2-hydroxyphenyl)acetate
Basic Information
CAS
258331-10-1
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
SMILES
CC(C)(C)OC(=O)CC1=CC=CC=C1O
InChI
InChI=1S/C12H16O3/c1-12(2,3)15-11(14)8-9-6-4-5-7-10(9)13/h4-7,13H,8H2,1-3H3
InChIKey
WQKQVLJLRPWESF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.66
TPSA
46.53
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.37
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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bis(2,2′-bipyridine-κN1,κN1′)[[2,2′-bipyridine]-5,5′-dicarboxylato(2-)-κN1,κN1′]-, dihydrochloride
- CAS RN: 258334-13-3
- Product Code: SSC-122439
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GHRELIN (RAT)
- CAS RN: 258338-12-4
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- Purity/Analytical method: >99.0%
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![CAS 258334-13-3 bis(2,2′-bipyridine-κN1,κN1′)[[2,2′-bipyridine]-5,5′-dicarboxylato(2-)-κN1,κN1′]-, dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/258334-13-3.gif)
