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CAS 372144-15-5 3-AMino-3-(3-tert-butoxyphenyl)propanoic Acid molecular structure lightbox
CAS RN: 372144-15-5

3-AMino-3-(3-tert-butoxyphenyl)propanoic Acid

  • Product code: SSC-144574
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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: 5g
  • 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 372144-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

372144-15-5 / 3-amino-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Standard CAS: 372144-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
372144-15-5
Multi CAS
No
Molecular Formula
C13H19NO3
Molecular Weight
237.290000
Exact Mass
237.136493
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-5-9(7-10)11(14)8-12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKey
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Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66
TPSA
72.55

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
-1
Consensus LogP
1.13
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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