CAS RN: 57105-53-0
Tryptophan, N-indol-3-ylacetyl- (6CI)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS57105-53-0
- Purity/Analytical Methods: >99.0%
57105-53-0 / (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
Basic Information
CAS
57105-53-0
Multi CAS
Yes
Molecular Formula
C21H19N3O3
Molecular Weight
361.400000
Exact Mass
361.142641
InChI
InChI=1S/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)/t19-/m0/s1
InChIKey
FOSPCYZZRVNHJS-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
4
Molar refractivity
103.57
TPSA
97.98
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
2.5
Consensus LogP
2.72
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 57105-94-9 6-methylfuro[3,2-c]pyridin-4(5H)-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
hexahydro-3-methylphthalic anhydride
- CAS RN: 57110-29-9
- Product Code: starshine_CAS57110-29-9
- Purity/Analytical method: >99.0%
-
-
2-amino-N-(1-naphthyl)benzamide
- CAS RN: 57115-11-4
- Product Code: starshine_CAS57115-11-4
- Purity/Analytical method: >99.0%
-
3-oxo-2-phenylbutanenitrile
- CAS RN: 57115-24-9
- Product Code: starshine_CAS57115-24-9
- Purity/Analytical method: >99.0%
-
Pentaerythritol tris[3-(1-aziridinyl)propionate]
- CAS RN: 57116-45-7
- Product Code: SSC-165223
![CAS 57105-94-9 6-methylfuro[3,2-c]pyridin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57105-94-9.gif)
![CAS 57116-45-7 Pentaerythritol tris[3-(1-aziridinyl)propionate] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57116-45-7.gif)