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CAS 2982-53-8 AKOS AU36-M255 molecular structure lightbox
CAS RN: 2982-53-8

AKOS AU36-M255

  • Product code: SSC-133014
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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 2982-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2982-53-8 / methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate

Standard CAS: 2982-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2982-53-8
Multi CAS
No
Molecular Formula
C11H13NO6
Molecular Weight
255.220000
Exact Mass
255.074287
InChI
InChI=1S/C11H13NO6/c1-16-9-4-7(5-11(13)18-3)8(12(14)15)6-10(9)17-2/h4,6H,5H2,1-3H3
InChIKey
YBOOBLNSFSZGGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
61.92
TPSA
87.9

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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
1.5

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