CAS RN: 221243-01-2

HOMO-L-TYROSINE HBR

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS221243-01-2
  • Purity/Analytical Methods: >99.0%
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221243-01-2 / (2S)-2-amino-4-(4-hydroxyphenyl)butanoic acid

Standard CAS: 221243-01-2 Multi CAS: No

Basic Information

CAS
221243-01-2
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
SMILES
C1=CC(=CC=C1CC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
InChIKey
LOOZZTFGSTZNRX-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.04
TPSA
83.55

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
-1.6
Consensus LogP
-0.07
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.39

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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