CAS RN: 264903-49-3
D-2-AMINO-4-BROMO-4-PENTENOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS264903-49-3
- Purity/Analytical Methods: >99.0%
264903-49-3 / 2-amino-4-bromopent-4-enoic acid
Basic Information
CAS
264903-49-3
Multi CAS
No
Molecular Formula
C5H8BrNO2
Molecular Weight
194.030000
Exact Mass
192.973840
SMILES
C=C(CC(C(=O)O)N)Br
InChI
InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)
InChIKey
YTCSGBSYHNQHFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.3
TPSA
63.32
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
-1.8
Consensus LogP
-0.16
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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