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CAS 5035-82-5 Methyl 2-amino-3,4,5-trimethoxybenzoate molecular structure lightbox
CAS RN: 5035-82-5

Methyl 2-amino-3,4,5-trimethoxybenzoate

  • Product code: SSC-156829
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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 5035-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5035-82-5 / methyl 2-amino-3,4,5-trimethoxybenzoate

Standard CAS: 5035-82-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5035-82-5
Multi CAS
Yes
Molecular Formula
C11H15NO5
Molecular Weight
241.240000
Exact Mass
241.095023
InChI
InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
InChIKey
UPVUQELOASQBMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
61.85
TPSA
80.01

LogP / Solubility

WLOGP
1.08
MLOGP
0.96
XLogP3
1.6
Consensus LogP
1.21
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.42

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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