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CAS 3956-34-1 Methyl ester 4-aMino-2,6-diMethoxy-Benzoic acid molecular structure lightbox
CAS RN: 3956-34-1

Methyl ester 4-aMino-2,6-diMethoxy-Benzoic acid

  • Product code: SSC-147234
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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: ＞97%
  • 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 3956-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

3956-34-1 / methyl 4-amino-2,6-dimethoxybenzoate

Standard CAS: 3956-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3956-34-1
Multi CAS
No
Molecular Formula
C10H13NO4
Molecular Weight
211.210000
Exact Mass
211.084458
InChI
InChI=1S/C10H13NO4/c1-13-7-4-6(11)5-8(14-2)9(7)10(12)15-3/h4-5H,11H2,1-3H3
InChIKey
ULKQAFJENDMZMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.3
TPSA
70.78

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
1
Consensus LogP
1.01
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.07
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)
-3.25

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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