CAS RN: 457653-01-9
(S)-alpha-Methyl-3-iodophenylalanine (>98%, >98%ee)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250824 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS457653-01-9
- Purity/Analytical Methods: >99.0%
457653-01-9 / (2R)-2-amino-3-(3-iodophenyl)-2-methylpropanoic acid
Basic Information
CAS
457653-01-9
Multi CAS
Yes
Molecular Formula
C10H12InO2
Molecular Weight
305.110000
Exact Mass
304.991280
InChI
InChI=1S/C10H12INO2/c1-10(12,9(13)14)6-7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
RCYLCZQGMUWCBV-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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