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CAS 22802-73-9 5-amino-2-methoxy-N,N-dimethylbenzamide(SALTDATA: FREE) molecular structure lightbox
CAS RN: 22802-73-9

5-amino-2-methoxy-N,N-dimethylbenzamide(SALTDATA: FREE)

  • Product code: SSC-111021
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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 22802-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

22802-73-9 / 5-amino-2-methoxy-N,N-dimethylbenzamide

Standard CAS: 22802-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22802-73-9
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
CN(C)C(=O)C1=C(C=CC(=C1)N)OC
InChI
InChI=1S/C10H14N2O2/c1-12(2)10(13)8-6-7(11)4-5-9(8)14-3/h4-6H,11H2,1-3H3
InChIKey
AJVBTKWDYGBNGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.42
TPSA
55.56

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
Consensus LogP
0.61
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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