CAS RN: 332061-75-3
(S)-3-AMino-4-(4-iodophenyl)-butyric acid-HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260125 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS332061-75-3
- Purity/Analytical Methods: >99.0%
332061-75-3 / (3S)-3-amino-4-(4-iodophenyl)butanoic acid;hydrochloride
Basic Information
CAS
332061-75-3
Multi CAS
Yes
Molecular Formula
C11H13LiNO2
Molecular Weight
341.570000
Exact Mass
340.967950
InChI
InChI=1S/C10H12INO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
InChIKey
OEKGKNIRLMPHEI-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.34
TPSA
63.32
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
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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