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, 10g, 5g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 3 In Stock | Shanghai | Inquiry |
5722-94-1 / 3,4-dimethoxy-2-methylbenzoic acid
Basic Information
CAS
5722-94-1
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKey
OUEJXYZKZCQELU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.24
TPSA
55.76
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1.8
Consensus LogP
1.67
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-2.7
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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RESORUFIN ETHYL ETHER
- CAS RN: 5725-91-7
- Product Code: starshine_CAS5725-91-7
- Purity/Analytical method: >99.0%
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