CAS RN: 733030-83-6
2-(2-ETHOXY-4-FORMYLPHENOXY)-N,N-DIMETHYLPROPANAMIDE
- Product code: SSC-182771
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
733030-83-6 / 2-(2-ethoxy-4-formylphenoxy)-N,N-dimethylpropanamide
Basic Information
CAS
733030-83-6
Multi CAS
No
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
InChI
InChI=1S/C14H19NO4/c1-5-18-13-8-11(9-16)6-7-12(13)19-10(2)14(17)15(3)4/h6-10H,5H2,1-4H3
InChIKey
FCQCUWKJHQOMSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
71.78
TPSA
55.84
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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