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CAS 128502-64-7 (R)-2-AMino-3-(2,6-diMethylphenyl)propanoic acid molecular structure lightbox
CAS RN: 128502-64-7

(R)-2-AMino-3-(2,6-diMethylphenyl)propanoic acid

  • Product code: SSC-035764
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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 128502-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

128502-64-7 / (2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid

Standard CAS: 128502-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128502-64-7
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CC1=C(C(=CC=C1)C)C[C@H](C(=O)O)N
InChI
InChI=1S/C11H15NO2/c1-7-4-3-5-8(2)9(7)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKey
VEQOZHOWFAVBOO-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.23
TPSA
63.32

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
-0.7
Consensus LogP
0.56
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-3.01

Drug-likeness / Medicinal Chemistry

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

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