CAS RN: 1629722-47-9
1-(2-(tert-butoxy)-2-oxoethyl)-L-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.20260328 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1629722-47-9
- Purity/Analytical Methods: >99.0%
1629722-47-9 / (2S)-2-amino-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-3-yl]propanoic acid
Basic Information
CAS
1629722-47-9
Multi CAS
No
Molecular Formula
C17H22N2O4
Molecular Weight
318.400000
Exact Mass
318.157957
SMILES
CC(C)(C)OC(=O)CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N
InChI
InChI=1S/C17H22N2O4/c1-17(2,3)23-15(20)10-19-9-11(8-13(18)16(21)22)12-6-4-5-7-14(12)19/h4-7,9,13H,8,10,18H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKey
NEWFZNOWZPCXFK-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.1
TPSA
94.55
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
-0.3
Consensus LogP
1.12
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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