CAS RN: 21106-04-7
O-Cbz-L-Tyrosine
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.20250626 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21106-04-7
- Purity/Analytical Methods: >99.0%
21106-04-7 / (2S)-2-amino-3-(4-phenylmethoxycarbonyloxyphenyl)propanoic acid
Basic Information
CAS
21106-04-7
Multi CAS
No
Molecular Formula
C17H17NO5
Molecular Weight
315.320000
Exact Mass
315.110673
SMILES
C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C17H17NO5/c18-15(16(19)20)10-12-6-8-14(9-7-12)23-17(21)22-11-13-4-2-1-3-5-13/h1-9,15H,10-11,18H2,(H,19,20)/t15-/m0/s1
InChIKey
UJTCGTXQJMMYLQ-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
83.01
TPSA
98.85
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
0.2
Consensus LogP
1.55
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
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
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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