CAS RN: 1391551-89-5
L-2-(O-BROMO-P-FLUOROPHENYL)GLYCINE HYDROCHLORIDE
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.20260617 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391551-89-5
- Purity/Analytical Methods: >99.0%
1391551-89-5 / (2S)-2-amino-2-(2-bromo-4-fluorophenyl)acetic acid;hydrochloride
Basic Information
CAS
1391551-89-5
Multi CAS
No
Molecular Formula
C8H8BrClFNO2
Molecular Weight
284.510000
Exact Mass
282.941100
SMILES
C1=CC(=C(C=C1F)Br)[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C8H7BrFNO2.ClH/c9-6-3-4(10)1-2-5(6)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H/t7-;/m0./s1
InChIKey
HDBZXNOVHSWDPF-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.91
TPSA
63.32
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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