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CAS 114926-39-5 3-Methylphenyl-D-alanine molecular structure lightbox
CAS RN: 114926-39-5

3-Methylphenyl-D-alanine

Product Availability

Choose a grade to view its available package options.

6 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 100mg Out of stock Inquiry
Batchno.20260310 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250123 10g Out of stock Inquiry
Batchno.20260313 1g Out of stock Inquiry
Batchno.20250221 250mg Out of stock Inquiry
Batchno.20251011 5g Out of stock Inquiry
  • Product code: SSC-014621
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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: ＞97%
  • 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 114926-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

114926-39-5 / (2R)-2-amino-3-(3-methylphenyl)propanoic acid

2-Amino-3-(m-tolyl)propanoic acid | 2-amino-3-m-tolyl-propionic acid | 2-amino-3-(3-methylphenyl)propanoic acid

Standard CAS: 114926-39-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114926-39-5
Multi CAS
Yes
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CC1=CC(=CC=C1)C[C@H](C(=O)O)N
InChI
InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey
JZRBSTONIYRNRI-SECBINFHSA-N
Synonyms
2-Amino-3-(m-tolyl)propanoic acid 2-amino-3-m-tolyl-propionic acid 2-amino-3-(3-methylphenyl)propanoic acid MFCD05227937 3-METHYL-DL-PHENYLALANINE

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.49
TPSA
63.32

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
-1.2
Consensus LogP
0.19
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.14

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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