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CAS 786637-72-7 (R)-3-Amino-3-(2-naphthyl)-propionic acid molecular structure lightbox
CAS RN: 786637-72-7

(R)-3-Amino-3-(2-naphthyl)-propionic acid

  • Product code: SSC-188014
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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 786637-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

786637-72-7 / (3R)-3-amino-3-naphthalen-2-ylpropanoic acid

Standard CAS: 786637-72-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
786637-72-7
Multi CAS
Yes
Molecular Formula
C13H13NO2
Molecular Weight
215.250000
Exact Mass
215.094629
InChI
InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1
InChIKey
JASNXOXPNZWQRV-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.13
TPSA
63.32

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
-0.7
Consensus LogP
1.22
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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