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CAS 1215092-16-2 α-Me-Phe(4-I)-OH molecular structure lightbox
CAS RN: 1215092-16-2

α-Me-Phe(4-I)-OH

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1215092-16-2
  • Purity/Analytical Methods: >99.0%
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1215092-16-2 / (2S)-2-amino-3-(4-iodophenyl)-2-methylpropanoic acid

Standard CAS: 1215092-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215092-16-2
Multi CAS
No
Molecular Formula
C10H12INO2
Molecular Weight
305.110000
Exact Mass
304.991280
SMILES
C[C@](CC1=CC=C(C=C1)I)(C(=O)O)N
InChI
InChI=1S/C10H12INO2/c1-10(12,9(13)14)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
YNCJAZPOXKKAMD-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.09
TPSA
63.32

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
-0.6
Consensus LogP
0.83
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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