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CAS 2349-31-7 ALPHA-METHYL-M-METHOXY-DL-PHENYLALANINE molecular structure lightbox
CAS RN: 2349-31-7

ALPHA-METHYL-M-METHOXY-DL-PHENYLALANINE

  • Product code: SSC-113353
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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 2349-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2349-31-7 / 2-amino-3-(3-methoxyphenyl)-2-methylpropanoic acid

Standard CAS: 2349-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2349-31-7
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
SMILES
CC(CC1=CC(=CC=C1)OC)(C(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-11(12,10(13)14)7-8-4-3-5-9(6-8)15-2/h3-6H,7,12H2,1-2H3,(H,13,14)
InChIKey
TYHSKOHNTPEOPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.93
TPSA
72.55

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
-1.2
Consensus LogP
0.25
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.26

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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