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CAS 153277-41-9 2-(2H-1,3-BENZODIOXOL-5-YL)-N-METHOXY-N-METHYLACETAMIDE molecular structure lightbox
CAS RN: 153277-41-9

2-(2H-1,3-BENZODIOXOL-5-YL)-N-METHOXY-N-METHYLACETAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-062792
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 153277-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

153277-41-9 / 2-(1,3-benzodioxol-5-yl)-N-methoxy-N-methylacetamide

Standard CAS: 153277-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153277-41-9
Multi CAS
No
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
SMILES
CN(C(=O)CC1=CC2=C(C=C1)OCO2)OC
InChI
InChI=1S/C11H13NO4/c1-12(14-2)11(13)6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3
InChIKey
ZVCDSMMCVQXTQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
56.05
TPSA
48

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
1.4
Consensus LogP
1.08
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.39

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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