CAS RN: 10068-67-4
Z-TYR(TBU)-OSU
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.20260531 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS10068-67-4
- Purity/Analytical Methods: >99.0%
10068-67-4 / (2,5-dioxopyrrolidin-1-yl) (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate
N-Cbz-O4-tert-butyl-L-tyrosine succinimido ester | Z-O-tert-butyl-L-tyrosine N-hydroxysuccinimide ester | (2,5-dioxopyrrolidin-1-yl) 2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoate
Basic Information
CAS
10068-67-4
Multi CAS
Yes
Molecular Formula
C25H28N2O7
Molecular Weight
468.500000
Exact Mass
468.189651
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)ON2C(=O)CCC2=O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C25H28N2O7/c1-25(2,3)33-19-11-9-17(10-12-19)15-20(23(30)34-27-21(28)13-14-22(27)29)26-24(31)32-16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,26,31)/t20-/m0/s1
InChIKey
UQLJTOVTUWDKCW-FQEVSTJZSA-N
Synonyms
N-Cbz-O4-tert-butyl-L-tyrosine succinimido ester
Z-O-tert-butyl-L-tyrosine N-hydroxysuccinimide ester
(2,5-dioxopyrrolidin-1-yl) 2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoate
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
121.26
TPSA
111.24
LogP / Solubility
WLOGP
3.31
MLOGP
2.94
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
