CAS RN: 1241680-33-0
3-Bromo-D-Tyrosine
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.20260527 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1241680-33-0
- Purity/Analytical Methods: >99.0%
1241680-33-0 / (2R)-2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid
Basic Information
CAS
1241680-33-0
Multi CAS
No
Molecular Formula
C9H10BrNO3
Molecular Weight
260.080000
Exact Mass
258.984410
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)N)Br)O
InChI
InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
InChIKey
HGWOSUKIFQMEIF-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.12
TPSA
83.55
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
-1.7
Consensus LogP
0.13
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
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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