CAS RN: 264903-54-0
D-2-(5-Bromothienyl)alanine
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.20250317 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS264903-54-0
- Purity/Analytical Methods: >99.0%
264903-54-0 / (2S)-2-amino-3-(5-bromothiophen-2-yl)propanoic acid
Basic Information
CAS
264903-54-0
Multi CAS
No
Molecular Formula
C7H8BrNO2S
Molecular Weight
250.120000
Exact Mass
248.945910
SMILES
C1=C(SC(=C1)Br)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
InChIKey
LKORPMMOJAJYLC-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.33
TPSA
63.32
LogP / Solubility
WLOGP
1.46
MLOGP
1.3
XLogP3
-0.7
Consensus LogP
0.69
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.21
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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- Product Code: starshine_CAS264925-45-3
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