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CAS 736184-44-4 D-Phenylalanine, 2-iodo- molecular structure lightbox
CAS RN: 736184-44-4

D-Phenylalanine, 2-iodo-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS736184-44-4
  • Purity/Analytical Methods: >99.0%
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736184-44-4 / 2-amino-3-(2-iodophenyl)propanoic acid

Standard CAS: 736184-44-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
736184-44-4
Multi CAS
Yes
Molecular Formula
C9H10InO2
Molecular Weight
291.090000
Exact Mass
290.975630
InChI
InChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey
BKXVGLPBXYBDDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.47
TPSA
63.32

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
-0.9
Consensus LogP
0.49
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

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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