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, 25g, 1g, 100g
- Available purity: ≥97%
- 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 | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
4093-29-2 / methyl 4-acetamido-2-methoxybenzoate
Basic Information
CAS
4093-29-2
Multi CAS
Yes
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)
InChIKey
OERVVBDWGVOBIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.64
TPSA
64.63
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.06
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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cis-6-Nonenyl Acetate
- CAS RN: 76238-22-7
- Product Code: ICTA0921
- Purity/Analytical method: >92.0%(GC)
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