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CAS 40915-27-3 (3,4,5-TRIMETHOXYBENZOYL)AMINO]ACETIC ACID molecular structure lightbox
CAS RN: 40915-27-3

(3,4,5-TRIMETHOXYBENZOYL)AMINO]ACETIC ACID

  • Product code: SSC-149299
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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 40915-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

40915-27-3 / 2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid

Standard CAS: 40915-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40915-27-3
Multi CAS
No
Molecular Formula
C12H15NO6
Molecular Weight
269.250000
Exact Mass
269.089937
InChI
InChI=1S/C12H15NO6/c1-17-8-4-7(12(16)13-6-10(14)15)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
LPQDWMLZTWHXOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.07
TPSA
94.09

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
0.7
Consensus LogP
0.57
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.99

Drug-likeness / Medicinal Chemistry

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

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