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CAS 515158-71-1 METHYL 2-AMINO-3-(4-PHENYLPHENYL)PROPANOATE molecular structure lightbox
CAS RN: 515158-71-1

METHYL 2-AMINO-3-(4-PHENYLPHENYL)PROPANOATE

  • Product code: SSC-158392
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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 515158-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

515158-71-1 / methyl 2-amino-3-(4-phenylphenyl)propanoate

Standard CAS: 515158-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
515158-71-1
Multi CAS
Yes
Molecular Formula
C16H17NO2
Molecular Weight
255.310000
Exact Mass
255.125929
InChI
InChI=1S/C16H17NO2/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10,15H,11,17H2,1H3
InChIKey
ZABGKWGFGXZMDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.57
TPSA
52.32

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.8
Consensus LogP
2.44
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

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