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CAS 17028-03-4 3-METHYL-L-TYROSINE molecular structure lightbox
CAS RN: 17028-03-4

3-METHYL-L-TYROSINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS17028-03-4
  • Purity/Analytical Methods: >99.0%
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17028-03-4 / (2S)-2-amino-3-(4-hydroxy-3-methylphenyl)propanoic acid

Standard CAS: 17028-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17028-03-4
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
SMILES
CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKey
MQHLULPKDLJASZ-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.16
TPSA
83.55

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
-1.4
Consensus LogP
-0.05
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

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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