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CAS 103854-24-6 DL-2,4-Dimethylphenylalanine molecular structure lightbox
CAS RN: 103854-24-6

DL-2,4-Dimethylphenylalanine

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 10g Out of stock Inquiry
Batchno.20250810 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251030 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260308 5g In stock Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS103854-24-6
  • Purity/Analytical Methods: >99.0%
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103854-24-6 / 2-amino-3-(2,4-dimethylphenyl)propanoic acid

2-amino-3-(2,4-dimethylphenyl)propanoic acid | Dl-2,4-dimethylphenylalanine | 2,4-Dimethyl-DL-Phenylalanine

Standard CAS: 103854-24-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103854-24-6
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CC1=CC(=C(C=C1)CC(C(=O)O)N)C
InChI
InChI=1S/C11H15NO2/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKey
ZEWXVRJSLTXWON-UHFFFAOYSA-N
Synonyms
2-amino-3-(2,4-dimethylphenyl)propanoic acid Dl-2,4-dimethylphenylalanine 2,4-Dimethyl-DL-Phenylalanine MFCD05227924 2,4-dimethylphenylalanine

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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