CAS RN: 496929-99-8
7-BROMO-D-TRYPTOPHAN
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.20251111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS496929-99-8
- Purity/Analytical Methods: >99.0%
496929-99-8 / (2R)-2-amino-3-(7-bromo-1H-indol-3-yl)propanoic acid
Basic Information
CAS
496929-99-8
Multi CAS
Yes
Molecular Formula
BC11H11O2Rn2
Molecular Weight
283.120000
Exact Mass
282.000390
InChI
InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m1/s1
InChIKey
VMMOOBBCGTVDGP-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
65.31
TPSA
79.11
LogP / Solubility
WLOGP
1.88
MLOGP
1.67
XLogP3
-0.4
Consensus LogP
1.05
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
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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