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CAS 119357-91-4 (S)-Methyl 2-amino-3-(naphthalen-1-yl)propanoate molecular structure lightbox
CAS RN: 119357-91-4

(S)-Methyl 2-amino-3-(naphthalen-1-yl)propanoate

  • Product code: SSC-019916
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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 119357-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

119357-91-4 / methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate

(S)-Methyl 2-amino-3-(naphthalen-1-yl)propanoate | Methyl (2s)-2-amino-3-naphthylpropanoate | methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate

Standard CAS: 119357-91-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119357-91-4
Multi CAS
Yes
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
COC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)N
InChI
InChI=1S/C14H15NO2/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9,15H2,1H3/t13-/m0/s1
InChIKey
OQJPYIXRWGSJOL-ZDUSSCGKSA-N
Synonyms
(S)-Methyl 2-amino-3-(naphthalen-1-yl)propanoate Methyl (2s)-2-amino-3-naphthylpropanoate methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate METHYL (2S)-2-AMINO-3-(NAPHTHALEN-1-YL)PROPANOATE MFCD08058289

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.64
TPSA
52.32

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
2.5
Consensus LogP
2.01
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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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