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CAS 1270184-80-9 α-Me-D-Phe(3-F)-OH molecular structure lightbox
CAS RN: 1270184-80-9

α-Me-D-Phe(3-F)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1270184-80-9
  • Purity/Analytical Methods: >99.0%
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1270184-80-9 / (2R)-2-amino-3-(3-fluorophenyl)-2-methylpropanoic acid

Standard CAS: 1270184-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270184-80-9
Multi CAS
No
Molecular Formula
C10H12FNO2
Molecular Weight
197.210000
Exact Mass
197.085207
SMILES
C[C@@](CC1=CC(=CC=C1)F)(C(=O)O)N
InChI
InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKey
FQZGACCJFXQSCQ-SNVBAGLBSA-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
50.33
TPSA
63.32

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
-1.1
Consensus LogP
0.37
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.09

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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