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CAS 941715-64-6 Methyl 4-{[(tert-butoxy)carbonyl]amino}-3-methoxybenzoate molecular structure lightbox
CAS RN: 941715-64-6

Methyl 4-{[(tert-butoxy)carbonyl]amino}-3-methoxybenzoate

  • Product code: SSC-208742
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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 941715-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

941715-64-6 / methyl 3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Standard CAS: 941715-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
941715-64-6
Multi CAS
No
Molecular Formula
C14H19NO5
Molecular Weight
281.300000
Exact Mass
281.126323
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(17)15-10-7-6-9(12(16)19-5)8-11(10)18-4/h6-8H,1-5H3,(H,15,17)
InChIKey
IFRRVAXAOYYQAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.19
TPSA
73.86

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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