![CAS 147030-72-6 N-Methoxy-N-Methylbenzo[d][1,3]dioxole-5-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147030-72-6.gif)
CAS RN: 147030-72-6
N-Methoxy-N-Methylbenzo[d][1,3]dioxole-5-carboxaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147030-72-6
- Purity/Analytical Methods: >99.0%
147030-72-6 / N-methoxy-N-methyl-1,3-benzodioxole-5-carboxamide
Basic Information
CAS
147030-72-6
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
SMILES
CN(C(=O)C1=CC2=C(C=C1)OCO2)OC
InChI
InChI=1S/C10H11NO4/c1-11(13-2)10(12)7-3-4-8-9(5-7)15-6-14-8/h3-5H,6H2,1-2H3
InChIKey
ISWNUAFRSGDCAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.67
TPSA
48
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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