CAS RN: 71953-90-7
N-ACETYL-5-METHYL-DL-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.20260303 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS71953-90-7
- Purity/Analytical Methods: >99.0%
71953-90-7 / 2-acetamido-3-(5-methyl-1H-indol-3-yl)propanoic acid
Basic Information
CAS
71953-90-7
Multi CAS
Yes
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
InChI
InChI=1S/C14H16N2O3/c1-8-3-4-12-11(5-8)10(7-15-12)6-13(14(18)19)16-9(2)17/h3-5,7,13,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
GTCLKZDZUKYDDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
71.98
TPSA
82.19
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
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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